data_[Tb7Ho1Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4496]
_cell_length_b [6.7000]
_cell_length_c [8.6583]
_cell_angle_alpha [101.3639]
_cell_angle_beta [97.1453]
_cell_angle_gamma [96.8616]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb7HoTh3]
_chemical_formula_sum '[Tb7 Ho1 Th3]'
_cell_volume [359.9570]
_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  0.0081  0.2690  0.5749  1
  Tb  Tb1  2  0.2944  0.7697  0.7954  1
  Tb  Tb2  2  0.4283  0.2851  0.8557  1
  Tb  Tb3  1  0.5000  0.0000  0.5000  1
  Ho  Ho4  1  0.5000  0.5000  0.5000  1
  Th  Th5  2  0.1748  0.0529  0.1651  1
  Th  Th6  1  0.0000  0.5000  0.0000  1
]