data_[Ba4Sr4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [15.5038]
_cell_length_b [7.1097]
_cell_length_c [6.9215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [52]
_chemical_formula_structural [BaSrBi3]
_chemical_formula_sum '[Ba4 Sr4 Bi12]'
_cell_volume [762.9450]
_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  0.2500  0.0000  0.9542  1.0
  Sr  Sr1  4  0.0000  0.7500  0.7500  1.0
  Bi  Bi2  8  0.1489  0.5520  0.0658  1.0
  Bi  Bi3  4  0.0582  0.2500  0.7500  1.0
]