data_[Sm12Ho12In4]
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 [Pnma]
_cell_length_a [13.3992]
_cell_length_b [5.2142]
_cell_length_c [12.7225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm3Ho3In]
_chemical_formula_sum '[Sm12 Ho12 In4]'
_cell_volume [888.8768]
_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  4  0.0884  0.2500  0.3102  1
  Sm  Sm1  4  0.1766  0.7500  0.7314  1
  Sm  Sm2  4  0.1879  0.7500  0.1236  1
  Ho  Ho3  4  0.0203  0.2500  0.0675  1
  Ho  Ho4  4  0.0536  0.2500  0.5715  1
  Ho  Ho5  4  0.2245  0.7500  0.4404  1
  In  In6  4  0.0535  0.2500  0.8177  1
]