data_[Tb2Y6Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2998]
_cell_length_b [5.6337]
_cell_length_c [9.6202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbY3Er]
_chemical_formula_sum '[Tb2 Y6 Er2]'
_cell_volume [322.6710]
_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  0.0689  0.7500  0.7992  1
  Y  Y1  2  0.1357  0.2500  0.5991  1
  Y  Y2  2  0.2648  0.7500  0.2018  1
  Y  Y3  2  0.3333  0.2500  0.0011  1
  Er  Er4  2  0.4683  0.7500  0.5997  1
]