data_Ga2AgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   141.0
_cell_angle_beta   141.0
_cell_angle_gamma   56.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AgBr
_chemical_formula_sum   'Ga2 Ag1 Br1'
_cell_volume   94.09
_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  0.0  0.07  0.74  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.07  0.0  0.74  1.0
  Br  Br1  1  0.0  0.0  0.47  1.0

data_Ga2AgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   6.21
_cell_angle_alpha   109.5
_cell_angle_beta   109.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AgBr
_chemical_formula_sum   'Ga2 Ag1 Br1'
_cell_volume   94.09
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.66  0.74  0.66  1.0
  Ag  Ag2  1  0.74  0.66  0.66  1.0
  Br  Br3  1  0.47  0.47  0.47  1.0

Ga Ga Ag Br
Ga Ga Ag Br 0 2 o o o 0 1 o o + 0 3 o o o 1 2 o o - 2 3 o o o 