[CIF]
data_PtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36234220
_cell_length_b   5.36234220
_cell_length_c   5.36234220
_cell_angle_alpha   113.33791906
_cell_angle_beta   113.33791906
_cell_angle_gamma   101.98721900
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtSe2
_chemical_formula_sum   'Pt2 Se4'
_cell_volume   117.20655851
_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  5.06264411  1
  Pt  Pt1  1  0.00000000  0.00000000  1.68754804  1
  Se  Se2  1  1.04827745  1.89819844  0.00000000  1
  Se  Se3  1  1.89819844  1.04827745  3.37509607  1
  Se  Se4  1  3.99475334  1.04827745  -0.00000000  1
  Se  Se5  1  -1.04827745  1.89819844  3.37509607  1
[/CIF]
