data_[Tb2Ho2Sc2]
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 [P2_1/m]
_cell_length_a [6.0808]
_cell_length_b [5.4772]
_cell_length_c [6.0927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbHoSc]
_chemical_formula_sum '[Tb2 Ho2 Sc2]'
_cell_volume [175.8610]
_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  0.0065  0.7500  0.8335  1
  Ho  Ho1  2  0.3338  0.7500  0.5070  1
  Sc  Sc2  2  0.3386  0.2500  0.8381  1
]