data_[Nd8Ho14Th2]
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 [C2/m]
_cell_length_a [12.1729]
_cell_length_b [5.9626]
_cell_length_c [12.7785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Ho7Th]
_chemical_formula_sum '[Nd8 Ho14 Th2]'
_cell_volume [817.5566]
_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  4  0.0595  0.5000  0.3318  1
  Nd  Nd1  4  0.1386  0.0000  0.7774  1
  Ho  Ho2  4  0.1357  0.0000  0.5044  1
  Ho  Ho3  4  0.2103  0.5000  0.9236  1
  Ho  Ho4  4  0.2488  0.0000  0.3154  1
  Ho  Ho5  2  0.0000  0.5000  0.0000  1
  Th  Th6  2  0.0000  0.0000  0.0000  1
]