data_[Er14Tm24Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [11.1341]
_cell_length_b [11.1341]
_cell_length_c [11.1341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Er7Tm12Th]
_chemical_formula_sum '[Er14 Tm24 Th2]'
_cell_volume [1380.2560]
_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
[
  Er  Er0  8  0.2500  0.2500  0.2500  1
  Er  Er1  6  0.0000  0.0000  0.5000  1
  Tm  Tm2  24  0.0000  0.2479  0.2479  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
]