data_[Er20Tm8Th2]
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 [I4/m]
_cell_length_a [9.6821]
_cell_length_b [9.6821]
_cell_length_c [10.2406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Er10Tm4Th]
_chemical_formula_sum '[Er20 Tm8 Th2]'
_cell_volume [959.9822]
_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  16  0.1117  0.2128  0.3379  1
  Er  Er1  4  0.0000  0.5000  0.2500  1
  Tm  Tm2  8  0.0732  0.3351  0.0000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
]