data_[Ga4Sn2Pb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4752]
_cell_length_b [8.2766]
_cell_length_c [13.4398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ga2SnPbBr6]
_chemical_formula_sum '[Ga4 Sn2 Pb2 Br12]'
_cell_volume [691.6863]
_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
[
  Ga  Ga0  4  0.2785  0.0660  0.2528  1.0
  Sn  Sn1  2  0.5000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1004  0.0572  0.7527  1.0
  Br  Br4  4  0.2375  0.6770  0.5712  1.0
  Br  Br5  4  0.4097  0.1814  0.5688  1.0
]