data_[La24Sn8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6458]
_cell_length_b [12.2451]
_cell_length_c [9.1694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3SnBi]
_chemical_formula_sum '[La24 Sn8 Bi8]'
_cell_volume [1419.8730]
_cell_formula_units_Z [8]
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
[
  La  La0  8  0.0871  0.0967  0.9146  1
  La  La1  8  0.0974  0.4057  0.0848  1
  La  La2  8  0.2499  0.3190  0.6888  1
  Sn  Sn3  8  0.2421  0.0541  0.6262  1
  Bi  Bi4  4  0.0000  0.1607  0.2500  1
  Bi  Bi5  4  0.0000  0.3485  0.7500  1
]