data_[Nd16Zn4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3980]
_cell_length_b [5.1210]
_cell_length_c [8.2912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Zn2Bi]
_chemical_formula_sum '[Nd16 Zn4 Bi2]'
_cell_volume [669.6449]
_cell_formula_units_Z [2]
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  0.0497  0.0000  0.7386  1.0
  Nd  Nd1  4  0.1002  0.5000  0.4652  1.0
  Nd  Nd2  4  0.1656  0.0000  0.2446  1.0
  Nd  Nd3  4  0.1808  0.5000  0.9572  1.0
  Zn  Zn4  4  0.2075  0.0000  0.6500  1.0
  Bi  Bi5  2  0.0000  0.5000  0.0000  1.0
]