data_[Tb12Er6In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6022]
_cell_length_b [5.5534]
_cell_length_c [12.4012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb6Er3In]
_chemical_formula_sum '[Tb12 Er6 In2]'
_cell_volume [617.9246]
_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  0.0743  0.7500  0.8620  1
  Tb  Tb1  2  0.1528  0.7500  0.1740  1
  Tb  Tb2  2  0.1541  0.2500  0.7017  1
  Tb  Tb3  2  0.2440  0.7500  0.4914  1
  Tb  Tb4  2  0.3133  0.2500  0.3330  1
  Tb  Tb5  2  0.4600  0.7500  0.0690  1
  Er  Er6  2  0.2283  0.2500  0.0277  1
  Er  Er7  2  0.4002  0.7500  0.7795  1
  Er  Er8  2  0.4745  0.2500  0.6333  1
  In  In9  2  0.0335  0.2500  0.4168  1
]