data_[Y16Ho10Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.5097]
_cell_length_b [9.5097]
_cell_length_c [10.0201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Y8Ho5Sc]
_chemical_formula_sum '[Y16 Ho10 Sc2]'
_cell_volume [906.1532]
_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
[
  Y  Y0  8  0.0697  0.6761  0.4076  1
  Y  Y1  8  0.0845  0.8186  0.7467  1
  Ho  Ho2  8  0.1068  0.7896  0.0763  1
  Ho  Ho3  2  0.0000  0.0000  0.5000  1
  Sc  Sc4  2  0.0000  0.5000  0.7500  1
]