data_image0
_chemical_formula_structural       PtSe2
_chemical_formula_sum              "Pt1 Se2"
_cell_length_a       3.646472069242891
_cell_length_b       3.6464720692428925
_cell_length_c       17.966078625885338
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99999999999999

_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  3.2845642695310634e-20  0.0  0.5000000009494188  1.0000
  Se  Se1       1.0  0.6666666661300036  0.33333333479475624  0.5816029305885932  1.0000
  Se  Se2       1.0  0.6666666661300036  0.33333333479475624  0.4183970696404306  1.0000