data_[La12Cd2In4]
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 [Pnnm]
_cell_length_a [9.8660]
_cell_length_b [10.2194]
_cell_length_c [5.6530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [La6CdIn2]
_chemical_formula_sum '[La12 Cd2 In4]'
_cell_volume [569.9616]
_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  0.0050  0.1799  0.0000  1.0
  La  La1  4  0.1641  0.6019  0.5000  1.0
  La  La2  4  0.1674  0.8997  0.5000  1.0
  Cd  Cd3  2  0.0000  0.5000  0.0000  1.0
  In  In4  4  0.1710  0.2535  0.5000  1.0
]