data_[Tb12Er5Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0939]
_cell_length_b [9.5724]
_cell_length_c [11.2866]
_cell_angle_alpha [70.0763]
_cell_angle_beta [81.9409]
_cell_angle_gamma [89.0167]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb12Er5Th2]
_chemical_formula_sum '[Tb12 Er5 Th2]'
_cell_volume [612.5322]
_cell_formula_units_Z [1]
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  2  0.0363  0.1927  0.1510  1
  Tb  Tb1  2  0.0865  0.8099  0.5489  1
  Tb  Tb2  2  0.1744  0.8237  0.2257  1
  Tb  Tb3  2  0.3757  0.4121  0.2855  1
  Tb  Tb4  2  0.4210  0.3130  0.6002  1
  Tb  Tb5  2  0.4289  0.6873  0.9858  1
  Er  Er6  2  0.1100  0.4552  0.8396  1
  Er  Er7  2  0.4902  0.0542  0.3310  1
  Er  Er8  1  0.0000  0.5000  0.5000  1
  Th  Th9  2  0.2767  0.0677  0.9182  1
]