data_Ga2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   5.12
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   93.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PbBr
_chemical_formula_sum   'Ga2 Pb1 Br1'
_cell_volume   108.92
_cell_formula_units_Z   1
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  Ga1  1  0.58  0.56  0.55  1.0
  Ga  Ga2  1  0.56  0.56  0.49  1.0
  Pb  Pb3  1  0.81  0.0  0.02  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ga2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.12
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   93.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PbBr
_chemical_formula_sum   'Ga2 Pb1 Br1'
_cell_volume   108.92
_cell_formula_units_Z   1
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  1  0.56  0.56  0.49  1.0
  Ga  Ga1  1  0.58  0.56  0.55  1.0
  Pb  Pb2  1  0.81  0.0  0.02  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ga Ga Pb Br
Ga Ga Pb Br 0 1 o o o 2 3 + o o 