data_[La12Cd2Pt4I6]
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
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6742]
_cell_length_b [13.1719]
_cell_length_c [8.4815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6CdPt2I3]
_chemical_formula_sum '[La12 Cd2 Pt4 I6]'
_cell_volume [816.9243]
_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  8  0.2490  0.3186  0.7946  1.0
  La  La1  4  0.2036  0.5000  0.1986  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  4  0.0000  0.3315  0.0000  1.0
  I  I4  4  0.0000  0.1563  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]