data_[Ho4Zr4Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2539]
_cell_length_b [13.2575]
_cell_length_c [5.9925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HoZrSc4]
_chemical_formula_sum '[Ho4 Zr4 Sc16]'
_cell_volume [617.9493]
_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  4  0.0000  0.4138  0.2500  1
  Zr  Zr1  4  0.0000  0.0032  0.7500  1
  Sc  Sc2  8  0.0941  0.1894  0.5333  1
  Sc  Sc3  8  0.2115  0.3704  0.8747  1
]