data_[Ba4Bi4As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2223]
_cell_length_b [4.7770]
_cell_length_c [8.3265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaBiAs]
_chemical_formula_sum '[Ba4 Bi4 As4]'
_cell_volume [441.8214]
_cell_formula_units_Z [4]
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  0.1056  0.5000  0.8209  1.0
  Bi  Bi1  4  0.1547  0.0000  0.4599  1.0
  As  As2  4  0.0943  0.0000  0.1156  1.0
]