data_[Ho20Er8Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4290]
_cell_length_b [15.4257]
_cell_length_c [9.0889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho5Er2Sc3]
_chemical_formula_sum '[Ho20 Er8 Sc12]'
_cell_volume [1200.1172]
_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  0.2447  0.1433  0.2361  1
  Ho  Ho1  4  0.0000  0.0192  0.7500  1
  Ho  Ho2  4  0.0000  0.2181  0.7500  1
  Ho  Ho3  4  0.0000  0.4823  0.2500  1
  Er  Er4  8  0.1545  0.1348  0.5475  1
  Sc  Sc5  8  0.1429  0.3654  0.0481  1
  Sc  Sc6  4  0.0000  0.2828  0.2500  1
]