data_[Tb6Pr2Y4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  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 [19.6226]
_cell_length_b [4.5127]
_cell_length_c [9.0557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Pr(YBi3)2]
_chemical_formula_sum '[Tb6 Pr2 Y4 Bi12]'
_cell_volume [780.1053]
_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  0.1654  0.0000  0.8319  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.0000  1.0
  Y  Y3  4  0.1674  0.0000  0.3335  1.0
  Bi  Bi4  4  0.0008  0.0000  0.2571  1.0
  Bi  Bi5  4  0.1666  0.5000  0.5825  1.0
  Bi  Bi6  4  0.1694  0.5000  0.0846  1.0
]