data_[Nd4Mg8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5354]
_cell_length_b [27.2784]
_cell_length_c [4.5545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd(MgBi)2]
_chemical_formula_sum '[Nd4 Mg8 Bi8]'
_cell_volume [563.4830]
_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  0.3435  0.7500  1
  Mg  Mg1  4  0.0000  0.0419  0.2500  1
  Mg  Mg2  4  0.0000  0.4600  0.2500  1
  Bi  Bi3  4  0.0000  0.1208  0.7500  1
  Bi  Bi4  4  0.0000  0.2502  0.2500  1
]