data_[La12Nd4In12]
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 [Cmmm]
_cell_length_a [11.1395]
_cell_length_b [11.3103]
_cell_length_c [7.3894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La3NdIn3]
_chemical_formula_sum '[La12 Nd4 In12]'
_cell_volume [930.9978]
_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  4  0.0000  0.2505  0.5000  1.0
  La  La1  4  0.2344  0.5000  0.0000  1.0
  La  La2  4  0.2426  0.5000  0.5000  1.0
  Nd  Nd3  4  0.0000  0.2546  0.0000  1.0
  In  In4  8  0.2500  0.2500  0.2419  1.0
  In  In5  4  0.0000  0.0000  0.2362  1.0
]