data_image0
_chemical_formula_structural       TiTe2TiTe2TiTe2TiTe2TiTe2TiTe2Ti2
_chemical_formula_sum              "Ti8 Te12"
_cell_length_a       6.741488124238039
_cell_length_b       6.7402861582598526
_cell_length_c       24.88965744557236
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.01054876537877

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Ti  Ti1       1.0  0.6667054800296232  0.3332399963635486  0.36479084655362193  1.0000
  Te  Te1       1.0  0.35031234904546255  0.3332444107561405  0.4375878488411049  1.0000
  Te  Te2       1.0  0.6666718947828225  0.6735349103428484  0.3036674757990504  1.0000
  Ti  Ti2       1.0  0.6667472009927764  0.33330592094845785  0.6352220356818343  1.0000
  Te  Te3       1.0  0.3263394281154127  0.33321555080139964  0.6963174305592158  1.0000
  Te  Te4       1.0  0.6665288817758381  0.6495888964847323  0.5624317393926306  1.0000
  Ti  Ti3       1.0  0.9999039753885743  6.472320018980687e-05  0.3722210380058108  1.0000
  Te  Te5       1.0  0.6667128734678368  0.017019902915683525  0.4376011965539341  1.0000
  Te  Te6       1.0  0.007041731317237191  0.33340634966091554  0.3036554061271131  1.0000
  Ti  Ti4       1.0  0.9999414572909883  0.9999257054764429  0.6277280201290739  1.0000
  Te  Te7       1.0  0.6667178286795739  0.9930352717075757  0.6963451163560777  1.0000
  Te  Te8       1.0  0.9830176151844963  0.33336100256601986  0.562414611394749  1.0000
  Ti  Ti5       1.0  0.3334606387525139  0.6666459266316912  0.3722564414661407  1.0000
  Te  Te9       1.0  0.9830281888108772  0.6497202439099918  0.43756650583945206  1.0000
  Te  Te10      1.0  0.3263617413134312  0.9929949737470073  0.3036928309089542  1.0000
  Ti  Ti6       1.0  0.3332288266989653  0.666649408091618  0.6278162865105941  1.0000
  Te  Te11      1.0  0.006889280818498442  0.6736550159781839  0.6963562944930451  1.0000
  Te  Te12      1.0  0.3503520740308673  0.016928064572249425  0.5624300189993269  1.0000
  Ti  Ti7       1.0  0.9999963951173829  0.9999112423446226  0.5000315125756767  1.0000
  Ti  Ti8       1.0  0.33330831726790416  0.6666482970372394  0.499979663730315  1.0000