data_[Sr12Sn16Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.0312]
_cell_length_b [9.0312]
_cell_length_c [12.9220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sr3Sn4Bi]
_chemical_formula_sum '[Sr12 Sn16 Bi4]'
_cell_volume [1053.9459]
_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  8  0.1629  0.6629  0.5000  1.0
  Sr  Sr1  4  0.0000  0.0000  0.2500  1.0
  Sn  Sn2  16  0.1422  0.3578  0.3120  1.0
  Bi  Bi3  4  0.0000  0.0000  0.0000  1.0
]