data_image0
_chemical_formula_structural       PtSe2
_chemical_formula_sum              "Pt1 Se2"
_cell_length_a       3.375290413268441
_cell_length_b       3.3752904604899907
_cell_length_c       18.620386719675125
_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  4.843705646313352e-38  0.5000000005457694  1.0000
  Se  Se1       1.0  0.0  0.49999999992741506  0.593102871399047  1.0000
  Se  Se2       1.0  0.5000000009971821  0.0  0.40689712861840016  1.0000