data_[Sm6Ho45Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.0947]
_cell_length_b [11.0947]
_cell_length_c [17.2802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2Ho15Sc2]
_chemical_formula_sum '[Sm6 Ho45 Sc6]'
_cell_volume [1842.0797]
_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
[
  Sm  Sm0  6  0.0000  0.0000  0.3227  1
  Ho  Ho1  18  0.0000  0.2941  0.0000  1
  Ho  Ho2  18  0.0071  0.5035  0.1384  1
  Ho  Ho3  9  0.0000  0.5000  0.5000  1
  Sc  Sc4  6  0.0000  0.0000  0.0915  1
]