data_Ga2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.92
_cell_angle_alpha   104.49
_cell_angle_beta   104.49
_cell_angle_gamma   51.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BrCl
_chemical_formula_sum   'Ga2 Br1 Cl1'
_cell_volume   109.25
_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  0.62  0.0  0.06  1.0
  Ga  Ga3  1  0.7  0.0  0.59  1.0
  Br  Br0  1  0.16  0.0  0.32  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Ga2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.58
_cell_length_c   6.92
_cell_angle_alpha   104.49
_cell_angle_beta   90.0
_cell_angle_gamma   115.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BrCl
_chemical_formula_sum   'Ga2 Br1 Cl1'
_cell_volume   109.25
_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  0.3  0.41  1.0
  Ga  Ga1  1  0.0  0.38  0.94  1.0
  Br  Br2  1  0.0  0.84  0.68  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ga Ga Br Cl
Ga Ga Br Cl 0 3 + o o 0 2 + o o 1 2 o o o 1 2 + o o 1 3 + o + 2 3 o o o 