data_[Tb12Pr8Y4]
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 [C2/m]
_cell_length_a [17.2818]
_cell_length_b [5.6660]
_cell_length_c [10.0900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Pr2Y]
_chemical_formula_sum '[Tb12 Pr8 Y4]'
_cell_volume [809.4813]
_cell_formula_units_Z [4]
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  0.0463  0.0000  0.3906  1.0
  Tb  Tb1  4  0.1129  0.5000  0.6558  1.0
  Tb  Tb2  4  0.2095  0.5000  0.4275  1.0
  Pr  Pr3  4  0.0063  0.5000  0.8574  1.0
  Pr  Pr4  4  0.2313  0.0000  0.8733  1.0
  Y  Y5  4  0.1325  0.0000  0.1345  1.0
]