data_[K4Ba16Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [20.2510]
_cell_length_b [7.9073]
_cell_length_c [8.8501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KBa4Pt]
_chemical_formula_sum '[K4 Ba16 Pt4]'
_cell_volume [1363.7559]
_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  0.0870  0.7500  1
  Ba  Ba1  8  0.1061  0.4146  0.4473  1
  Ba  Ba2  8  0.2020  0.0700  0.1654  1
  Pt  Pt3  4  0.2500  0.2500  0.5000  1
]