data_[Pt2W2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2689]
_cell_length_b [3.0405]
_cell_length_c [4.7271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PtWSe2]
_chemical_formula_sum '[Pt2 W2 Se4]'
_cell_volume [189.6989]
_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  2  0.0000  0.0000  0.5000  1
  W  W1  2  0.0000  0.5000  0.0000  1
  Se  Se2  4  0.1438  0.0000  0.1980  1
]