data_[Sr8Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [15.5755]
_cell_length_b [6.9271]
_cell_length_c [6.7053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [52]
_chemical_formula_structural [Sr2Bi3]
_chemical_formula_sum '[Sr8 Bi12]'
_cell_volume [723.4559]
_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
[
  Sr  Sr0  4  0.0001  0.7500  0.7500  1.0
  Sr  Sr1  4  0.2500  0.0000  0.9401  1.0
  Bi  Bi2  8  0.1532  0.5623  0.0781  1.0
  Bi  Bi3  4  0.0681  0.2500  0.7500  1.0
]