data_[Nd6Sm1In6]
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 [P6/mmm]
_cell_length_a [6.3880]
_cell_length_b [6.3880]
_cell_length_c [11.1448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Nd6SmIn6]
_chemical_formula_sum '[Nd6 Sm1 In6]'
_cell_volume [393.8495]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3340  1
  Nd  Nd1  2  0.3333  0.6667  0.0000  1
  Nd  Nd2  2  0.3333  0.6667  0.5000  1
  Sm  Sm3  1  0.0000  0.0000  0.0000  1
  In  In4  6  0.0000  0.5000  0.2460  1
]