data_image0
_chemical_formula_structural       Ti2Se2
_chemical_formula_sum              "Ti2 Se2"
_cell_length_a       4.160094367563984
_cell_length_b       4.1600943704023985
_cell_length_c       18.23333334
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  9.409829616970397e-20  0.0  0.500000000548446  1.0000
  Ti  Ti2       1.0  0.49999999909088805  0.5000000011535317  0.5  1.0000
  Se  Se1       1.0  2.549733159998466e-19  0.5000000011535317  0.4206069903398146  1.0000
  Se  Se2       1.0  0.49999999909088805  0.0  0.5793930102086313  1.0000