data_Ga2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   3.47
_cell_angle_alpha   103.09
_cell_angle_beta   103.09
_cell_angle_gamma   92.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AuBr
_chemical_formula_sum   'Ga2 Au1 Br1'
_cell_volume   92.3
_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  Ga2  1  0.26  0.92  0.64  1.0
  Ga  Ga3  1  0.26  0.08  0.64  1.0
  Au  Au0  1  0.66  0.0  0.0  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_Ga2AuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   92.78
_cell_angle_beta   103.09
_cell_angle_gamma   103.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AuBr
_chemical_formula_sum   'Ga2 Au1 Br1'
_cell_volume   92.3
_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  0.64  0.26  0.08  1.0
  Ga  Ga1  1  0.64  0.26  0.92  1.0
  Au  Au2  1  -0.0  0.66  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ga Ga Au Br