data_[Li4Sn4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1772]
_cell_length_b [13.3391]
_cell_length_c [11.4957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiSnPbI5]
_chemical_formula_sum '[Li4 Sn4 Pb4 I20]'
_cell_volume [1414.8801]
_cell_formula_units_Z [4]
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  4  0.0000  0.4317  0.7500  1.0
  Sn  Sn1  4  0.0000  0.1193  0.7500  1.0
  Pb  Pb2  4  0.2500  0.2500  0.5000  1.0
  I  I3  8  0.0375  0.2945  0.9427  1.0
  I  I4  8  0.2375  0.4426  0.3254  1.0
  I  I5  4  0.0000  0.1367  0.2500  1.0
]