data_[Y20Ho4Sc8]
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 [I4/mcm]
_cell_length_a [8.8237]
_cell_length_b [8.8237]
_cell_length_c [12.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Y5HoSc2]
_chemical_formula_sum '[Y20 Ho4 Sc8]'
_cell_volume [980.4333]
_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
[
  Y  Y0  16  0.1523  0.3477  0.3425  1.0
  Y  Y1  4  0.0000  0.0000  0.0000  1.0
  Ho  Ho2  4  0.0000  0.0000  0.2500  1.0
  Sc  Sc3  8  0.1408  0.3592  0.0000  1.0
]