data_Ga2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   5.08
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AuBr
_chemical_formula_sum   'Ga2 Au1 Br1'
_cell_volume   101.22
_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  0.86  0.54  0.64  1.0
  Ga  Ga3  1  0.09  0.0  0.09  1.0
  Au  Au0  1  0.99  0.54  0.16  1.0
  Br  Br1  1  0.96  0.0  0.69  1.0

data_Ga2AuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   5.05
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AuBr
_chemical_formula_sum   'Ga2 Au1 Br1'
_cell_volume   101.22
_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  0.14  0.36  0.46  1.0
  Ga  Ga1  1  0.91  0.91  0.0  1.0
  Au  Au2  1  0.01  0.84  0.46  1.0
  Br  Br3  1  0.04  0.31  0.0  1.0

Ga Ga Au Br