data_Ga3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   9.21
_cell_angle_alpha   18.98
_cell_angle_beta   18.98
_cell_angle_gamma   18.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Ag
_chemical_formula_sum   'Ga3 Ag1'
_cell_volume   72.25
_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  Ga1  1  0.0  0.0  0.34  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.78  1.0
  Ag  Ag0  1  0.0  0.0  0.56  1.0

data_Ga3Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   100.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga3Ag
_chemical_formula_sum   'Ga6 Ag2'
_cell_volume   144.49
_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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.22  1.0
  Ga  Ga2  2  0.0  0.0  0.66  1.0
  Ag  Ag3  2  0.0  0.0  0.44  1.0

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