data_[Ho16Tm12Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6831]
_cell_length_b [9.7405]
_cell_length_c [6.6104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho4Tm3Sc2]
_chemical_formula_sum '[Ho16 Tm12 Sc8]'
_cell_volume [1072.7407]
_cell_formula_units_Z [4]
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
[
  Ho  Ho0  8  0.0174  0.1799  0.0134  1.0
  Ho  Ho1  8  0.1874  0.3766  0.9118  1.0
  Tm  Tm2  8  0.1542  0.0436  0.7404  1.0
  Tm  Tm3  4  0.0000  0.4933  0.7500  1.0
  Sc  Sc4  8  0.1647  0.2862  0.3956  1.0
]