data_[Ba12Bi2Sb4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4751]
_cell_length_b [9.1425]
_cell_length_c [14.7050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6BiSb2P]
_chemical_formula_sum '[Ba12 Bi2 Sb4 P2]'
_cell_volume [935.9757]
_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
[
  Ba  Ba0  4  0.0920  0.5741  0.2384  1.0
  Ba  Ba1  4  0.2480  0.1983  0.0760  1.0
  Ba  Ba2  4  0.3711  0.6756  0.0667  1.0
  Bi  Bi3  2  0.5000  0.0000  0.0000  1.0
  Sb  Sb4  4  0.2822  0.5818  0.7530  1.0
  P  P5  2  0.0000  0.0000  0.5000  1.0
]