data_[Tb10Ho16Sc2]
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 [C2]
_cell_length_a [15.2033]
_cell_length_b [8.2475]
_cell_length_c [8.3588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tb5Ho8Sc]
_chemical_formula_sum '[Tb10 Ho16 Sc2]'
_cell_volume [895.6316]
_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  0.0494  0.1552  0.2725  1
  Tb  Tb1  4  0.1071  0.8348  0.9717  1
  Tb  Tb2  2  0.0000  0.5053  0.0000  1
  Ho  Ho3  4  0.1286  0.4495  0.6765  1
  Ho  Ho4  4  0.1704  0.0547  0.7128  1
  Ho  Ho5  4  0.1885  0.7504  0.4321  1
  Ho  Ho6  4  0.1890  0.2372  0.0692  1
  Sc  Sc7  2  0.0000  0.7845  0.5000  1
]