data_[Nd16Er10Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.6974]
_cell_length_b [9.6974]
_cell_length_c [10.2651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd8Er5Th]
_chemical_formula_sum '[Nd16 Er10 Th2]'
_cell_volume [965.3203]
_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  8  0.0668  0.3290  0.4070  1
  Nd  Nd1  8  0.0957  0.1794  0.7516  1
  Er  Er2  8  0.1104  0.2015  0.0764  1
  Er  Er3  2  0.0000  0.0000  0.5000  1
  Th  Th4  2  0.0000  0.5000  0.7500  1
]