data_image0
_chemical_formula_structural       PtSePtSe
_chemical_formula_sum              "Pt2 Se2"
_cell_length_a       3.9673903193633184
_cell_length_b       3.9682217355078455
_cell_length_c       17.5485859
_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
  Pt  Pt1       1.0  0.0  0.999857165239803  0.5000045445257216  1.0000
  Se  Se1       1.0  0.0  0.5002174480922666  0.5916812419626359  1.0000
  Pt  Pt2       1.0  0.5000000000802394  0.49946679699498897  0.4999832277083934  1.0000
  Se  Se2       1.0  0.0  0.5002461637255137  0.4083240547604466  1.0000