data_[Nd2Er2Th4]
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 [Pmma]
_cell_length_a [5.0820]
_cell_length_b [5.0476]
_cell_length_c [10.1714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NdErTh2]
_chemical_formula_sum '[Nd2 Er2 Th4]'
_cell_volume [260.9177]
_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  0.2500  0.5000  0.6317  1
  Er  Er1  2  0.2500  0.0000  0.3683  1
  Th  Th2  2  0.2500  0.0000  0.8800  1
  Th  Th3  2  0.2500  0.5000  0.1222  1
]