data_[Tb1Ho6Th1]
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 [6.5344]
_cell_length_b [6.6574]
_cell_length_c [6.7397]
_cell_angle_alpha [60.7241]
_cell_angle_beta [83.5232]
_cell_angle_gamma [88.0530]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbHo6Th]
_chemical_formula_sum '[Tb1 Ho6 Th1]'
_cell_volume [254.0369]
_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  1  0.0000  0.0000  0.0000  1
  Ho  Ho1  2  0.2387  0.5670  0.5243  1
  Ho  Ho2  2  0.2485  0.5309  0.0229  1
  Ho  Ho3  2  0.2577  0.0686  0.5091  1
  Th  Th4  1  0.5000  0.0000  0.0000  1
]