data_[Ho24Tm4Sc12]
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 [Cmc2_1]
_cell_length_a [9.3343]
_cell_length_b [20.2363]
_cell_length_c [6.1941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho6TmSc3]
_chemical_formula_sum '[Ho24 Tm4 Sc12]'
_cell_volume [1170.0233]
_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  0.1779  0.2816  0.1760  1
  Ho  Ho1  8  0.1802  0.4427  0.9194  1
  Ho  Ho2  4  0.0000  0.0146  0.7050  1
  Ho  Ho3  4  0.0000  0.3021  0.7106  1
  Tm  Tm4  4  0.0000  0.1580  0.4833  1
  Sc  Sc5  8  0.1672  0.1265  0.0132  1
  Sc  Sc6  4  0.0000  0.4168  0.3985  1
]