data_image0
_chemical_formula_structural       Se3Ti2
_chemical_formula_sum              "Se3 Ti2"
_cell_length_a       3.5711387388219316
_cell_length_b       3.571248855937579
_cell_length_c       21.36779525
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    60.001018353997644

_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  0.2584449908530717  0.28934085005864346  0.6490031300725796  1.0000
  Se  Se2       1.0  0.25844494849041716  0.2893407604525647  0.3509941298225422  1.0000
  Se  Se3       1.0  0.5917529811642022  0.6226530897205047  0.5000027899462393  1.0000
  Ti  Ti1       1.0  0.9251235786977808  0.9560376809378798  0.5793928299645233  1.0000
  Ti  Ti2       1.0  0.9251235095101668  0.9560376198674648  0.4206071199601185  1.0000