data_[Tb4Y7Th1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5627]
_cell_length_b [6.8472]
_cell_length_c [9.0361]
_cell_angle_alpha [84.8411]
_cell_angle_beta [77.2620]
_cell_angle_gamma [81.6667]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb4Y7Th]
_chemical_formula_sum '[Tb4 Y7 Th1]'
_cell_volume [391.1641]
_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  0.1603  0.6223  0.3085  1
  Tb  Tb1  2  0.3622  0.1865  0.7131  1
  Y  Y2  2  0.1858  0.1099  0.3836  1
  Y  Y3  2  0.3202  0.6954  0.6425  1
  Y  Y4  2  0.4837  0.2472  0.0476  1
  Y  Y5  1  0.0000  0.5000  0.0000  1
  Th  Th6  1  0.0000  0.0000  0.0000  1
]