data_[Ho6Tm45Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.9264]
_cell_length_b [10.9264]
_cell_length_c [17.2679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho2Tm15Sc2]
_chemical_formula_sum '[Ho6 Tm45 Sc6]'
_cell_volume [1785.3489]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.3213  1
  Tm  Tm1  18  0.0000  0.2967  0.0000  1
  Tm  Tm2  18  0.0059  0.5030  0.1379  1
  Tm  Tm3  9  0.0000  0.5000  0.5000  1
  Sc  Sc4  6  0.0000  0.0000  0.0915  1
]