data_[K2B7Pt12]
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 [P-3]
_cell_length_a [9.0154]
_cell_length_b [9.0154]
_cell_length_c [5.3371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [K2B7Pt12]
_chemical_formula_sum '[K2 B7 Pt12]'
_cell_volume [375.6717]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.0256  1
  B  B1  6  0.0876  0.3639  0.4972  1
  B  B2  1  0.0000  0.0000  0.5000  1
  Pt  Pt3  6  0.0591  0.8546  0.7597  1
  Pt  Pt4  6  0.1493  0.6458  0.5270  1
]