data_[Ho4Er6Sc16]
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 [13.6955]
_cell_length_b [8.6345]
_cell_length_c [6.5605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Er3Sc8]
_chemical_formula_sum '[Ho4 Er6 Sc16]'
_cell_volume [734.9224]
_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  0.2310  0.0000  0.9240  1
  Er  Er1  4  0.0000  0.1806  0.0000  1
  Er  Er2  2  0.0000  0.0000  0.5000  1
  Sc  Sc3  8  0.1193  0.3168  0.6600  1
  Sc  Sc4  4  0.0706  0.5000  0.2423  1
  Sc  Sc5  4  0.1941  0.0000  0.3944  1
]