data_[Tb16Ho6Sc8]
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/m]
_cell_length_a [13.0414]
_cell_length_b [11.8369]
_cell_length_c [6.5974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Ho3Sc4]
_chemical_formula_sum '[Tb16 Ho6 Sc8]'
_cell_volume [916.7421]
_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  0.2393  0.5000  1
  Tb  Tb1  4  0.0000  0.2944  0.0000  1
  Tb  Tb2  4  0.2025  0.5000  0.1630  1
  Tb  Tb3  4  0.2328  0.0000  0.3055  1
  Ho  Ho4  4  0.2500  0.2500  0.0000  1
  Ho  Ho5  2  0.0000  0.5000  0.5000  1
  Sc  Sc6  4  0.2500  0.2500  0.5000  1
  Sc  Sc7  2  0.0000  0.0000  0.0000  1
  Sc  Sc8  2  0.0000  0.0000  0.5000  1
]