data_[Y6Ho8Sc1]
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 [P-3]
_cell_length_a [9.7628]
_cell_length_b [9.7628]
_cell_length_c [5.7508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Y6Ho8Sc]
_chemical_formula_sum '[Y6 Ho8 Sc1]'
_cell_volume [474.6893]
_cell_formula_units_Z [1]
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  6  0.0916  0.6234  0.2601  1
  Ho  Ho1  6  0.0519  0.7820  0.7686  1
  Ho  Ho2  2  0.3333  0.6667  0.7670  1
  Sc  Sc3  1  0.0000  0.0000  0.5000  1
]