data_[La2Cd4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4256]
_cell_length_b [13.0909]
_cell_length_c [6.9927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(CdI4)2]
_chemical_formula_sum '[La2 Cd4 I16]'
_cell_volume [1135.4063]
_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  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.2448  0.0000  0.6626  1.0
  I  I2  8  0.1206  0.1713  0.7680  1.0
  I  I3  4  0.0296  0.5000  0.2554  1.0
  I  I4  4  0.2206  0.0000  0.2540  1.0
]