data_[Tb10Nd2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8142]
_cell_length_b [13.5339]
_cell_length_c [7.8094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5NdBi6]
_chemical_formula_sum '[Tb10 Nd2 Bi12]'
_cell_volume [778.9575]
_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
[
  Tb  Tb0  4  0.0000  0.1646  0.5000  1.0
  Tb  Tb1  4  0.0000  0.3326  0.0000  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  8  0.2466  0.3312  0.7468  1.0
  Bi  Bi5  4  0.2457  0.5000  0.2511  1.0
]