data_GaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2
_chemical_formula_sum   'Ga4 Ag8'
_cell_volume   238.02
_cell_formula_units_Z   4
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  Ga8  1  0.0  0.22  0.96  1.0
  Ga  Ga9  1  0.79  0.61  0.54  1.0
  Ga  Ga10  1  0.79  0.61  0.88  1.0
  Ga  Ga11  1  0.0  0.22  0.3  1.0
  Ag  Ag0  1  0.0  0.0  0.42  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.15  0.82  0.63  1.0
  Ag  Ag3  1  0.64  0.0  0.21  1.0
  Ag  Ag4  1  0.79  0.18  0.63  1.0
  Ag  Ag5  1  0.43  0.82  0.63  1.0
  Ag  Ag6  1  0.36  0.0  0.21  1.0
  Ag  Ag7  1  0.0  0.65  0.21  1.0

data_GaAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2
_chemical_formula_sum   'Ga4 Ag8'
_cell_volume   238.02
_cell_formula_units_Z   4
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  0.22  0.3  1.0
  Ga  Ga1  1  0.0  0.22  0.96  1.0
  Ga  Ga2  1  0.79  0.61  0.54  1.0
  Ga  Ga3  1  0.79  0.61  0.88  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0
  Ag  Ag5  1  0.0  0.0  0.42  1.0
  Ag  Ag6  1  0.0  0.65  0.21  1.0
  Ag  Ag7  1  0.15  0.82  0.63  1.0
  Ag  Ag8  1  0.36  0.0  0.21  1.0
  Ag  Ag9  1  0.43  0.82  0.63  1.0
  Ag  Ag10  1  0.64  0.0  0.21  1.0
  Ag  Ag11  1  0.79  0.18  0.63  1.0

Ga Ga Ga Ga Ag Ag Ag Ag Ag Ag Ag Ag
Ga Ga Ga Ga Ag Ag Ag Ag Ag Ag Ag Ag 0 5 o o + 1 4 + + o 1 6 + o o 2 5 + + + 3 4 o o o 6 9 o o o 7 10 o o o 8 9 o - o 10 11 o - o 