data_[La12Cd2In6]
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 [P2_1/m]
_cell_length_a [9.8056]
_cell_length_b [5.5281]
_cell_length_c [12.2282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La6CdIn3]
_chemical_formula_sum '[La12 Cd2 In6]'
_cell_volume [632.0462]
_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  2  0.0835  0.7500  0.8793  1
  La  La1  2  0.1261  0.7500  0.1455  1
  La  La2  2  0.1563  0.2500  0.7002  1
  La  La3  2  0.2576  0.7500  0.4968  1
  La  La4  2  0.3397  0.2500  0.3228  1
  La  La5  2  0.4598  0.7500  0.0838  1
  Cd  Cd6  2  0.0374  0.2500  0.4088  1
  In  In7  2  0.2323  0.2500  0.0254  1
  In  In8  2  0.3718  0.7500  0.7816  1
  In  In9  2  0.4612  0.2500  0.6232  1
]