data_Ga2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.59
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PdBr
_chemical_formula_sum   'Ga2 Pd1 Br1'
_cell_volume   78.92
_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  0.65  0.3  0.0  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.3  0.61  1.0
  Br  Br0  1  0.65  0.0  0.61  1.0

data_Ga2PdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.59
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PdBr
_chemical_formula_sum   'Ga2 Pd1 Br1'
_cell_volume   78.92
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.65  0.3  0.0  1.0
  Pd  Pd2  1  0.0  0.3  0.61  1.0
  Br  Br3  1  0.65  0.0  0.61  1.0

Ga Ga Pd Br
Ga Ga Pd Br 0 1 + o o 2 3 - o o 