data_Ga2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.52
_cell_angle_alpha   109.52
_cell_angle_beta   109.52
_cell_angle_gamma   59.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PdBr
_chemical_formula_sum   'Ga2 Pd1 Br1'
_cell_volume   99.89
_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  0.63  0.0  0.04  1.0
  Ga  Ga2  1  0.57  0.0  0.98  1.0
  Pd  Pd3  1  0.08  0.0  0.51  1.0
  Br  Br0  1  0.43  0.0  0.51  1.0

data_Ga2PdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.52
_cell_angle_alpha   109.52
_cell_angle_beta   90.0
_cell_angle_gamma   119.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PdBr
_chemical_formula_sum   'Ga2 Pd1 Br1'
_cell_volume   99.89
_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  0.37  0.96  1.0
  Ga  Ga1  1  0.0  0.43  0.02  1.0
  Pd  Pd2  1  0.0  0.92  0.49  1.0
  Br  Br3  1  0.0  0.57  0.49  1.0

Ga Ga Pd Br