data_[La4Nd12In8]
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 [C2/m]
_cell_length_a [16.8876]
_cell_length_b [5.5148]
_cell_length_c [9.4693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaNd3In2]
_chemical_formula_sum '[La4 Nd12 In8]'
_cell_volume [768.3790]
_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  0.1300  0.0000  0.1735  1.0
  Nd  Nd1  4  0.0596  0.0000  0.7137  1.0
  Nd  Nd2  4  0.1181  0.5000  0.5448  1.0
  Nd  Nd3  4  0.1947  0.5000  0.0009  1.0
  In  In4  4  0.0178  0.5000  0.1658  1.0
  In  In5  4  0.2289  0.0000  0.5923  1.0
]