data_[Ba12Bi4Sb2As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5430]
_cell_length_b [9.2328]
_cell_length_c [14.8947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Bi2SbAs]
_chemical_formula_sum '[Ba12 Bi4 Sb2 As2]'
_cell_volume [964.6353]
_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  0.1038  0.5676  0.2434  1.0
  Ba  Ba1  4  0.2473  0.1946  0.0702  1.0
  Ba  Ba2  4  0.3753  0.6816  0.0661  1.0
  Bi  Bi3  4  0.2802  0.5816  0.7511  1.0
  Sb  Sb4  2  0.5000  0.0000  0.0000  1.0
  As  As5  2  0.0000  0.0000  0.5000  1.0
]