data_[Er16Tm24Th4]
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 [Cmcm]
_cell_length_a [5.5840]
_cell_length_b [9.6314]
_cell_length_c [25.2555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er4Tm6Th]
_chemical_formula_sum '[Er16 Tm24 Th4]'
_cell_volume [1358.2975]
_cell_formula_units_Z [4]
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  0.0000  0.1656  0.0411  1
  Er  Er1  8  0.0000  0.4959  0.1221  1
  Tm  Tm2  8  0.0000  0.1627  0.1825  1
  Tm  Tm3  8  0.0000  0.1699  0.6014  1
  Tm  Tm4  4  0.0000  0.4960  0.2500  1
  Tm  Tm5  4  0.0000  0.5000  0.0000  1
  Th  Th6  4  0.0000  0.1704  0.7500  1
]