data_[K4As8Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9460]
_cell_length_b [4.0247]
_cell_length_c [9.1003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAs2Pt3]
_chemical_formula_sum '[K4 As8 Pt12]'
_cell_volume [511.4451]
_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  0.1379  0.0000  0.0468  1
  As  As1  4  0.0257  0.5000  0.2277  1
  As  As2  4  0.1984  0.0000  0.7204  1
  Pt  Pt3  4  0.0543  0.0000  0.3976  1
  Pt  Pt4  4  0.0975  0.5000  0.6462  1
  Pt  Pt5  4  0.1920  0.5000  0.4284  1
]