data_[Ho12Er8Sc16]
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 [15.7827]
_cell_length_b [11.0058]
_cell_length_c [5.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho3(ErSc2)2]
_chemical_formula_sum '[Ho12 Er8 Sc16]'
_cell_volume [1005.2780]
_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  0.1623  0.0956  0.6149  1
  Ho  Ho1  4  0.0000  0.3980  0.7500  1
  Er  Er2  8  0.1279  0.3592  0.3154  1
  Sc  Sc3  8  0.0418  0.1389  0.0205  1
  Sc  Sc4  8  0.2209  0.3576  0.8445  1
]