data_[La6Cd6In16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7521]
_cell_length_b [11.4352]
_cell_length_c [13.8661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3Cd3In8]
_chemical_formula_sum '[La6 Cd6 In16]'
_cell_volume [753.4991]
_cell_formula_units_Z [2]
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  0.0000  0.1955  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  4  0.0000  0.1784  0.0000  1.0
  Cd  Cd3  2  0.0000  0.5000  0.5000  1.0
  In  In4  8  0.0000  0.2858  0.3550  1.0
  In  In5  8  0.0000  0.3711  0.1475  1.0
]