data_[Tb2Ho2Sc6]
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 [P-1]
_cell_length_a [5.9413]
_cell_length_b [6.3712]
_cell_length_c [8.7141]
_cell_angle_alpha [72.3754]
_cell_angle_beta [89.9559]
_cell_angle_gamma [62.3672]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbHoSc3]
_chemical_formula_sum '[Tb2 Ho2 Sc6]'
_cell_volume [274.6776]
_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  0.4260  0.8050  0.4462  1.0
  Ho  Ho1  2  0.0381  0.5911  0.6608  1.0
  Sc  Sc2  2  0.1706  0.9928  0.7620  1.0
  Sc  Sc3  2  0.2374  0.1958  0.0475  1.0
  Sc  Sc4  2  0.3615  0.6019  0.1410  1.0
]