data_[Sm12Ho20Sc8]
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 [C2/c]
_cell_length_a [10.5932]
_cell_length_b [15.9430]
_cell_length_c [9.1091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm3Ho5Sc2]
_chemical_formula_sum '[Sm12 Ho20 Sc8]'
_cell_volume [1251.9145]
_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
[
  Sm  Sm0  8  0.1453  0.3767  0.0467  1
  Sm  Sm1  4  0.0000  0.2648  0.2500  1
  Ho  Ho2  8  0.2387  0.1087  0.2341  1
  Ho  Ho3  4  0.0000  0.0309  0.7500  1
  Ho  Ho4  4  0.0000  0.2267  0.7500  1
  Ho  Ho5  4  0.0000  0.4686  0.2500  1
  Sc  Sc6  8  0.1499  0.1136  0.5457  1
]