data_[K2B2Pt6]
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 [P1]
_cell_length_a [5.4081]
_cell_length_b [6.2976]
_cell_length_c [6.9977]
_cell_angle_alpha [93.0294]
_cell_angle_beta [110.6426]
_cell_angle_gamma [113.9073]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KBPt3]
_chemical_formula_sum '[K2 B2 Pt6]'
_cell_volume [198.4857]
_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
[
  K  K0  1  0.3466  0.8483  0.5213  1.0
  K  K1  1  0.5805  0.7333  0.1059  1.0
  B  B2  1  0.0655  0.2704  0.1823  1.0
  B  B3  1  0.8767  0.4212  0.6696  1.0
  Pt  Pt4  1  0.1064  0.2219  0.7233  1.0
  Pt  Pt5  1  0.2915  0.1378  0.0871  1.0
  Pt  Pt6  1  0.4245  0.3633  0.4915  1.0
  Pt  Pt7  1  0.7731  0.3377  0.9391  1.0
  Pt  Pt8  1  0.8394  0.3075  0.3560  1.0
  Pt  Pt9  1  0.9213  0.7538  0.7784  1.0
]