data_[Nd6Ho8Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [7.1504]
_cell_length_b [8.0788]
_cell_length_c [10.7501]
_cell_angle_alpha [103.1105]
_cell_angle_beta [90.2737]
_cell_angle_gamma [102.8832]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3(Ho2Th)2]
_chemical_formula_sum '[Nd6 Ho8 Th4]'
_cell_volume [588.5814]
_cell_formula_units_Z [2]
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
[
  Nd  Nd0  2  0.2436  0.4988  0.4969  1
  Nd  Nd1  2  0.4095  0.1625  0.2755  1
  Nd  Nd2  2  0.4210  0.1795  0.9454  1
  Ho  Ho3  2  0.0787  0.8352  0.7218  1
  Ho  Ho4  2  0.0801  0.8274  0.0553  1
  Ho  Ho5  2  0.2436  0.4978  0.8326  1
  Ho  Ho6  2  0.4151  0.1657  0.6118  1
  Th  Th7  2  0.0848  0.8376  0.3880  1
  Th  Th8  2  0.2494  0.5061  0.1679  1
]