data_[Ho4Er16Sc6]
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/m]
_cell_length_a [13.0472]
_cell_length_b [11.0553]
_cell_length_c [5.9362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Er8Sc3]
_chemical_formula_sum '[Ho4 Er16 Sc6]'
_cell_volume [775.2155]
_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
[
  Ho  Ho0  4  0.1789  0.5000  0.3435  1
  Er  Er1  8  0.1574  0.2320  0.6516  1
  Er  Er2  4  0.0911  0.5000  0.7761  1
  Er  Er3  4  0.1354  0.0000  0.1142  1
  Sc  Sc4  4  0.0000  0.2685  0.0000  1
  Sc  Sc5  2  0.0000  0.0000  0.5000  1
]