data_[Nd16Sn6Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4078]
_cell_length_b [8.6980]
_cell_length_c [7.7471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Sn3Bi2]
_chemical_formula_sum '[Nd16 Sn6 Bi4]'
_cell_volume [1048.9094]
_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  8  0.1134  0.2512  0.4045  1
  Nd  Nd1  4  0.0849  0.5000  0.8048  1
  Nd  Nd2  4  0.1095  0.0000  0.9166  1
  Sn  Sn3  4  0.0000  0.2650  0.0000  1
  Sn  Sn4  2  0.0000  0.0000  0.5000  1
  Bi  Bi5  4  0.2478  0.0000  0.3363  1
]