data_[Cs4Ga4Pb2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/m]
_cell_length_a [15.5459]
_cell_length_b [8.8295]
_cell_length_c [9.4950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ga2PbI6]
_chemical_formula_sum '[Cs4 Ga4 Pb2 I12]'
_cell_volume [1147.9789]
_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
[
  Cs  Cs0  4  0.2214  0.5000  0.1830  1.0
  Ga  Ga1  4  0.0572  0.0000  0.1659  1.0
  Pb  Pb2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.0564  0.2522  0.7889  1.0
  I  I4  4  0.2284  0.5000  0.5921  1.0
]