data_[La8Nd12In4]
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 [Cmcm]
_cell_length_a [17.7344]
_cell_length_b [6.5074]
_cell_length_c [7.0857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La2Nd3In]
_chemical_formula_sum '[La8 Nd12 In4]'
_cell_volume [817.7186]
_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  0.1757  0.4742  0.2500  1.0
  Nd  Nd1  8  0.1412  0.0000  0.0000  1.0
  Nd  Nd2  4  0.0000  0.3170  0.7500  1.0
  In  In3  4  0.0000  0.1961  0.2500  1.0
]