data_[K12B4P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5048]
_cell_length_b [8.9390]
_cell_length_c [8.9563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3BP2]
_chemical_formula_sum '[K12 B4 P8]'
_cell_volume [712.3929]
_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  8  0.2019  0.0502  0.4810  1.0
  K  K1  4  0.0000  0.3492  0.7500  1.0
  B  B2  4  0.0000  0.2826  0.2500  1.0
  P  P3  8  0.1304  0.2777  0.1481  1.0
]