data_[La20Nd12In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [13.3519]
_cell_length_b [15.3095]
_cell_length_c [6.7427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La5Nd3In2]
_chemical_formula_sum '[La20 Nd12 In8]'
_cell_volume [1378.2885]
_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
[
  La  La0  8  0.1262  0.3505  0.5000  1
  La  La1  8  0.2494  0.0000  0.2500  1
  La  La2  4  0.0000  0.5000  0.2500  1
  Nd  Nd3  8  0.1152  0.2392  0.0000  1
  Nd  Nd4  4  0.0000  0.0000  0.2500  1
  In  In5  8  0.1266  0.1507  0.5000  1
]