data_[Ba4Al2Bi2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8636]
_cell_length_b [4.8337]
_cell_length_c [10.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2AlBiAs]
_chemical_formula_sum '[Ba4 Al2 Bi2 As2]'
_cell_volume [378.3031]
_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  2  0.2152  0.2500  0.3968  1.0
  Ba  Ba1  2  0.2446  0.2500  0.9810  1.0
  Al  Al2  2  0.4852  0.7500  0.2577  1.0
  Bi  Bi3  2  0.3197  0.7500  0.7012  1.0
  As  As4  2  0.1674  0.7500  0.1754  1.0
]