data_Ga2AsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AsBr
_chemical_formula_sum   'Ga2 As1 Br1'
_cell_volume   88.08
_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  0.59  0.0  0.64  1.0
  Ga  Ga3  1  0.0  0.59  0.64  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.59  0.59  0.0  1.0

data_Ga2AsBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2AsBr
_chemical_formula_sum   'Ga4 As2 Br2'
_cell_volume   176.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.29  0.29  0.64  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.09  0.5  -0.0  1.0

Ga Ga As Br