data_[Tb8Er20Th4Mg4]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4385]
_cell_length_b [19.8498]
_cell_length_c [10.3465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb2Er5ThMg]
_chemical_formula_sum '[Tb8 Er20 Th4 Mg4]'
_cell_volume [1116.9293]
_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  0.1153  0.0392  1
  Er  Er1  8  0.0000  0.2871  0.0502  1
  Er  Er2  4  0.0000  0.0137  0.7500  1
  Er  Er3  4  0.0000  0.3817  0.7500  1
  Er  Er4  4  0.0000  0.5000  0.0000  1
  Th  Th5  4  0.0000  0.2012  0.7500  1
  Mg  Mg6  4  0.0000  0.4040  0.2500  1
]