data_[Tb8Ho6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.1534]
_cell_length_b [7.1809]
_cell_length_c [6.2184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4Ho3Sc]
_chemical_formula_sum '[Tb8 Ho6 Sc2]'
_cell_volume [498.0339]
_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  0.2456  0.1284  0.9840  1.0
  Tb  Tb1  2  0.0000  0.1269  0.6434  1.0
  Tb  Tb2  2  0.0000  0.8723  0.1521  1.0
  Ho  Ho3  4  0.2495  0.6218  0.9788  1.0
  Ho  Ho4  2  0.0000  0.6230  0.6471  1.0
  Sc  Sc5  2  0.0000  0.3778  0.1471  1.0
]