data_GaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.93
_cell_angle_alpha   107.93
_cell_angle_beta   107.93
_cell_angle_gamma   30.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg
_chemical_formula_sum   'Ga3 Ag3'
_cell_volume   106.87
_cell_formula_units_Z   3
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  Ga3  1  0.21  0.0  0.33  1.0
  Ga  Ga4  1  0.37  0.0  0.03  1.0
  Ga  Ga5  1  0.67  0.0  0.27  1.0
  Ag  Ag0  1  0.52  0.0  0.49  1.0
  Ag  Ag1  1  0.54  0.0  0.16  1.0
  Ag  Ag2  1  0.65  0.0  0.89  1.0

data_GaAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.64
_cell_length_c   6.93
_cell_angle_alpha   107.93
_cell_angle_beta   90.0
_cell_angle_gamma   105.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg
_chemical_formula_sum   'Ga3 Ag3'
_cell_volume   106.87
_cell_formula_units_Z   3
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  0.33  0.73  1.0
  Ga  Ga1  1  0.0  0.63  0.97  1.0
  Ga  Ga2  1  0.0  0.79  0.67  1.0
  Ag  Ag3  1  0.0  0.35  0.11  1.0
  Ag  Ag4  1  0.0  0.46  0.84  1.0
  Ag  Ag5  1  0.0  0.48  0.51  1.0

Ga Ga Ga Ag Ag Ag
Ga Ga Ga Ag Ag Ag 0 3 o o o 1 4 o o o 1 5 o o - 2 4 o o o 2 3 o o o 4 5 o o - 