data_[La12Fe4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1935]
_cell_length_b [7.7615]
_cell_length_c [4.9521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3FeBi]
_chemical_formula_sum '[La12 Fe4 Bi4]'
_cell_volume [583.8268]
_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
[
  La  La0  4  0.0000  0.2965  0.5000  1.0
  La  La1  4  0.1241  0.0000  0.9970  1.0
  La  La2  4  0.2500  0.2500  0.5000  1.0
  Fe  Fe3  4  0.0944  0.0000  0.4465  1.0
  Bi  Bi4  4  0.1429  0.5000  0.9949  1.0
]