data_[Tb2Er8Sc6]
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 [Pmn2_1]
_cell_length_a [10.8544]
_cell_length_b [7.0183]
_cell_length_c [6.0690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TbEr4Sc3]
_chemical_formula_sum '[Tb2 Er8 Sc6]'
_cell_volume [462.3356]
_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  0.0000  0.3811  0.1504  1.0
  Er  Er1  4  0.2459  0.8693  0.4839  1.0
  Er  Er2  2  0.0000  0.1307  0.6468  1.0
  Er  Er3  2  0.0000  0.8705  0.1404  1.0
  Sc  Sc4  4  0.2492  0.3795  0.4797  1.0
  Sc  Sc5  2  0.0000  0.6213  0.6505  1.0
]