data_[Ho6Sc14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.1801]
_cell_length_b [10.1801]
_cell_length_c [5.9214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Ho3Sc7]
_chemical_formula_sum '[Ho6 Sc14]'
_cell_volume [531.4471]
_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  6  0.2049  0.7951  0.8643  1
  Sc  Sc1  6  0.0599  0.5300  0.2210  1
  Sc  Sc2  6  0.1185  0.2370  0.3812  1
  Sc  Sc3  2  0.3333  0.6667  0.5087  1
]