data_[Tb12Er8]
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
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.5602]
_cell_length_b [15.7581]
_cell_length_c [6.1249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tb3Er2]
_chemical_formula_sum '[Tb12 Er8]'
_cell_volume [633.1726]
_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  0.1142  0.4059  0.5000  1
  Tb  Tb1  4  0.0000  0.0000  0.2500  1
  Er  Er2  8  0.1444  0.8081  0.0000  1
]