data_[Nd12Sm8In16]
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 [Cmce]
_cell_length_a [7.3021]
_cell_length_b [15.8909]
_cell_length_c [9.8429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd3(SmIn2)2]
_chemical_formula_sum '[Nd12 Sm8 In16]'
_cell_volume [1142.1365]
_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  8  0.2500  0.2227  0.2500  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Sm  Sm2  8  0.0000  0.1056  0.5491  1
  In  In3  8  0.0000  0.1935  0.9792  1
  In  In4  8  0.2500  0.0166  0.2500  1
]