data_[Sm12Ho20In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0233]
_cell_length_b [15.6638]
_cell_length_c [6.5044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm3Ho5In2]
_chemical_formula_sum '[Sm12 Ho20 In8]'
_cell_volume [1219.1531]
_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  0.1186  0.2375  0.0889  1.0
  Sm  Sm1  4  0.0000  0.0335  0.2500  1.0
  Ho  Ho2  8  0.1264  0.3419  0.6101  1.0
  Ho  Ho3  8  0.2406  0.4567  0.0151  1.0
  Ho  Ho4  4  0.0000  0.4693  0.2500  1.0
  In  In5  8  0.1358  0.1438  0.6055  1.0
]