data_[Nd4Sm20Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8866]
_cell_length_b [7.8866]
_cell_length_c [19.0599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [NdSm5Bi3]
_chemical_formula_sum '[Nd4 Sm20 Bi12]'
_cell_volume [1185.4983]
_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
[
  Nd  Nd0  4  0.0000  0.5000  0.2500  1
  Sm  Sm1  16  0.1851  0.3149  0.3737  1
  Sm  Sm2  4  0.0000  0.0000  0.0000  1
  Bi  Bi3  8  0.1363  0.3637  0.0000  1
  Bi  Bi4  4  0.0000  0.0000  0.2500  1
]