data_[Sr12In4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8396]
_cell_length_b [4.6259]
_cell_length_c [9.8128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3InBi]
_chemical_formula_sum '[Sr12 In4 Bi4]'
_cell_volume [806.5593]
_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  0.0493  0.0000  0.1722  1.0
  Sr  Sr1  4  0.1041  0.5000  0.5821  1.0
  Sr  Sr2  4  0.2394  0.0000  0.8230  1.0
  In  In3  4  0.2036  0.0000  0.4208  1.0
  Bi  Bi4  4  0.1072  0.5000  0.9272  1.0
]