[CIF]
data_PtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35463140
_cell_length_b   5.35463140
_cell_length_c   5.35463140
_cell_angle_alpha   112.82928537
_cell_angle_beta   112.82928537
_cell_angle_gamma   102.94564251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtSe2
_chemical_formula_sum   'Pt2 Se4'
_cell_volume   117.05447243
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Pt0  1  0.00000000  -0.00000000  5.00298582  1
  Pt  Pt1  1  0.00000000  0.00000000  1.66766194  1
  Se  Se2  1  1.05353639  1.90853147  0.00000000  1
  Se  Se3  1  1.90853147  1.05353639  3.33532388  1
  Se  Se4  1  4.01560425  1.05353639  -0.00000000  1
  Se  Se5  1  -1.05353639  1.90853147  3.33532388  1
[/CIF]
