data_[Sn2Ge2Pb2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [7.5186]
_cell_length_b [7.5186]
_cell_length_c [13.9505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [SnGePbI6]
_chemical_formula_sum '[Sn2 Ge2 Pb2 I12]'
_cell_volume [788.6135]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.6678  1.0
  Ge  Ge1  2  0.0000  0.0000  0.3328  1.0
  Pb  Pb2  2  0.0000  0.0000  0.9990  1.0
  I  I3  4  0.1927  0.8073  0.4931  1.0
  I  I4  4  0.1977  0.8023  0.1765  1.0
  I  I5  4  0.2131  0.7869  0.8306  1.0
]