data_[Tb2Er24Th10]
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 [C2/m]
_cell_length_a [18.3908]
_cell_length_b [10.5586]
_cell_length_c [6.1272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbEr12Th5]
_chemical_formula_sum '[Tb2 Er24 Th10]'
_cell_volume [1121.8285]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.0000  1
  Er  Er1  8  0.1665  0.3340  0.5007  1
  Er  Er2  8  0.1674  0.1656  0.9980  1
  Er  Er3  4  0.0000  0.1661  0.5000  1
  Er  Er4  4  0.0000  0.3363  0.0000  1
  Th  Th5  4  0.1666  0.5000  0.0016  1
  Th  Th6  4  0.1672  0.0000  0.5048  1
  Th  Th7  2  0.0000  0.5000  0.5000  1
]