data_[Tb6Er8Sc6]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.5993]
_cell_length_b [12.7295]
_cell_length_c [12.8463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tb3Er4Sc3]
_chemical_formula_sum '[Tb6 Er8 Sc6]'
_cell_volume [588.5908]
_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  4  0.0000  0.2474  0.7505  1
  Tb  Tb1  2  0.5000  0.0000  0.1703  1
  Er  Er2  4  0.0000  0.1298  0.9940  1
  Er  Er3  2  0.0000  0.0000  0.3781  1
  Er  Er4  2  0.0000  0.0000  0.6299  1
  Sc  Sc5  4  0.5000  0.1694  0.5018  1
  Sc  Sc6  2  0.5000  0.0000  0.8292  1
]