data_Ga3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Si
_chemical_formula_sum   'Ga6 Si2'
_cell_volume   142.58
_cell_formula_units_Z   2
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  0.18  0.18  0.37  1.0
  Ga  Ga1  1  0.18  0.82  0.12  1.0
  Ga  Ga2  1  0.86  0.94  0.37  1.0
  Ga  Ga3  1  0.5  0.06  0.12  1.0
  Ga  Ga4  1  0.86  0.06  0.12  1.0
  Ga  Ga5  1  0.5  0.94  0.37  1.0
  Si  Si6  1  0.18  0.69  0.37  1.0
  Si  Si7  1  0.18  0.31  0.12  1.0

data_Ga3Si
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.49
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   114.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ga3Si
_chemical_formula_sum   'Ga6 Si2'
_cell_volume   142.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  0.0  0.18  1.0
  Ga  Ga1  2  0.12  0.32  0.94  1.0
  Ga  Ga2  2  0.12  0.68  0.94  1.0
  Si  Si3  2  0.12  0.0  0.69  1.0

Ga Ga Ga Ga Ga Ga Si Si
Ga Ga Ga Ga Ga Ga Si Si 0 7 o o o 1 6 o o o 2 4 o + o 3 5 o - o 