data_[Tb8Pr2Y6]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.4204]
_cell_length_b [7.3335]
_cell_length_c [6.3586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4PrY3]
_chemical_formula_sum '[Tb8 Pr2 Y6]'
_cell_volume [532.5481]
_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  0.2483  0.1235  0.5192  1.0
  Tb  Tb1  2  0.0000  0.1236  0.8516  1.0
  Tb  Tb2  2  0.0000  0.8772  0.3493  1.0
  Pr  Pr3  2  0.0000  0.6269  0.8552  1.0
  Y  Y4  4  0.2499  0.6265  0.5181  1.0
  Y  Y5  2  0.0000  0.3733  0.3541  1.0
]