data_[Ba24Bi10P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4111]
_cell_length_b [9.1894]
_cell_length_c [11.3351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba12Bi5P2]
_chemical_formula_sum '[Ba24 Bi10 P4]'
_cell_volume [1939.7876]
_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  8  0.1479  0.2534  0.5704  1
  Ba  Ba1  8  0.1708  0.2695  0.0893  1
  Ba  Ba2  4  0.0015  0.5000  0.1999  1
  Ba  Ba3  4  0.0166  0.0000  0.8179  1
  Bi  Bi4  4  0.1878  0.5000  0.8328  1
  Bi  Bi5  4  0.1968  0.5000  0.3573  1
  Bi  Bi6  2  0.0000  0.0000  0.5000  1
  P  P7  4  0.0000  0.2484  0.0000  1
]