data_[Li2Pt2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1410]
_cell_length_b [4.1985]
_cell_length_c [14.0454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiPtI4]
_chemical_formula_sum '[Li2 Pt2 I8]'
_cell_volume [412.3848]
_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
[
  Li  Li0  2  0.5000  0.0000  0.5000  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.1098  0.0490  0.3864  1.0
  I  I3  4  0.3524  0.0002  0.1149  1.0
]