data_[Nd4Sm8In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3291]
_cell_length_b [6.5845]
_cell_length_c [6.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdSm2In3]
_chemical_formula_sum '[Nd4 Sm8 In12]'
_cell_volume [686.6218]
_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
[
  Nd  Nd0  4  0.0000  0.1329  0.2500  1
  Sm  Sm1  8  0.1701  0.3825  0.5877  1
  In  In2  8  0.1649  0.1218  0.0469  1
  In  In3  4  0.0000  0.3684  0.7500  1
]