data_image0
_chemical_formula_structural       Se2Ti2
_chemical_formula_sum              "Se2 Ti2"
_cell_length_a       4.041698927505385
_cell_length_b       4.043307966472896
_cell_length_c       18.85580293064
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.98683671774829

_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
  Se  Se1       1.0  2.8787100584833208e-05  8.435007001358132e-05  0.40565060730301045  1.0000
  Se  Se2       1.0  0.33330453224889645  0.6665823190810548  0.5944164462912943  1.0000
  Ti  Ti1       1.0  0.9999903559419966  0.0001037443041209694  0.5453061891780708  1.0000
  Ti  Ti2       1.0  0.33334298605659374  0.6665629305578527  0.45476464521518783  1.0000