data_[Nd8Y2Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1703]
_cell_length_b [4.6433]
_cell_length_c [10.2931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4YBi3]
_chemical_formula_sum '[Nd8 Y2 Bi6]'
_cell_volume [529.0847]
_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  0.1296  0.0000  0.4036  1
  Nd  Nd1  4  0.1495  0.5000  0.8434  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Bi  Bi3  4  0.1689  0.5000  0.1962  1
  Bi  Bi4  2  0.0000  0.5000  0.5000  1
]