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 [8.5362]
_cell_length_b [9.2339]
_cell_length_c [14.8814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Bi2SbAs]
_chemical_formula_sum '[Ba12 Bi4 Sb2 As2]'
_cell_volume [963.6656]
_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  0.1036  0.0676  0.7433  1
  Ba  Ba1  4  0.2471  0.6947  0.5702  1
  Ba  Ba2  4  0.3753  0.1815  0.5661  1
  Bi  Bi3  4  0.2803  0.0817  0.2511  1
  Sb  Sb4  2  0.5000  0.0000  0.0000  1
  As  As5  2  0.0000  0.0000  0.5000  1
]