data_[K8Pt4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8212]
_cell_length_b [12.1116]
_cell_length_c [12.4508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2PtSe2]
_chemical_formula_sum '[K8 Pt4 Se8]'
_cell_volume [576.2297]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.0000  0.1736  0.0945  1.0
  K  K1  4  0.0000  0.4287  0.8763  1.0
  Pt  Pt2  4  0.0000  0.1306  0.7506  1.0
  Se  Se3  4  0.0000  0.2944  0.3591  1.0
  Se  Se4  4  0.0000  0.4445  0.1418  1.0
]