data_[K4B4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.9551]
_cell_length_b [4.0367]
_cell_length_c [6.2241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KBPt3]
_chemical_formula_sum '[K4 B4 Pt12]'
_cell_volume [411.7943]
_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  2  0.0369  0.0000  0.5361  1.0
  K  K1  2  0.3364  0.0000  0.2719  1.0
  B  B2  2  0.0973  0.5000  0.9933  1.0
  B  B3  2  0.2679  0.5000  0.6428  1.0
  Pt  Pt4  2  0.0910  0.0000  0.0759  1.0
  Pt  Pt5  2  0.1826  0.5000  0.3384  1.0
  Pt  Pt6  2  0.2066  0.5000  0.9155  1.0
  Pt  Pt7  2  0.2351  0.0000  0.6514  1.0
  Pt  Pt8  2  0.3778  0.5000  0.8578  1.0
  Pt  Pt9  2  0.4757  0.0000  0.9424  1.0
]