data_[Tb24Er16Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7260]
_cell_length_b [9.5960]
_cell_length_c [25.5507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb6Er4Th]
_chemical_formula_sum '[Tb24 Er16 Th4]'
_cell_volume [1403.9409]
_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
[
  Tb  Tb0  8  0.0000  0.1294  0.1818  1
  Tb  Tb1  8  0.0000  0.1985  0.6010  1
  Tb  Tb2  4  0.0000  0.4625  0.2500  1
  Tb  Tb3  4  0.0000  0.5000  0.0000  1
  Er  Er4  8  0.0000  0.1537  0.0418  1
  Er  Er5  8  0.0000  0.4595  0.1223  1
  Th  Th6  4  0.0000  0.2013  0.7500  1
]