data_[In8Ga4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6943]
_cell_length_b [20.2722]
_cell_length_c [17.1506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In2GaPbI5]
_chemical_formula_sum '[In8 Ga4 Pb4 I20]'
_cell_volume [1632.1046]
_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
[
  In  In0  4  0.0000  0.0770  0.6521  1.0
  In  In1  4  0.0000  0.1286  0.2656  1.0
  Ga  Ga2  4  0.0000  0.4483  0.4499  1.0
  Pb  Pb3  4  0.0000  0.2399  0.0329  1.0
  I  I4  4  0.0000  0.0799  0.0728  1.0
  I  I5  4  0.0000  0.2534  0.6701  1.0
  I  I6  4  0.0000  0.2869  0.4051  1.0
  I  I7  4  0.0000  0.3966  0.0058  1.0
  I  I8  4  0.0000  0.4918  0.7696  1.0
]