data_[Nd16Cu4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6736]
_cell_length_b [20.5478]
_cell_length_c [6.5359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd4CuBi]
_chemical_formula_sum '[Nd16 Cu4 Bi4]'
_cell_volume [761.9578]
_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  8  0.0000  0.2960  0.5028  1
  Nd  Nd1  4  0.0000  0.1043  0.7500  1
  Nd  Nd2  4  0.0000  0.4507  0.7500  1
  Cu  Cu3  4  0.0000  0.4146  0.2500  1
  Bi  Bi4  4  0.0000  0.1450  0.2500  1
]