data_Ga3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3As
_chemical_formula_sum   'Ga6 As2'
_cell_volume   155.35
_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  Ga2  1  0.54  0.44  0.55  1.0
  Ga  Ga3  1  0.46  0.44  0.55  1.0
  Ga  Ga4  1  0.0  0.78  0.55  1.0
  Ga  Ga5  1  0.54  0.89  0.18  1.0
  Ga  Ga6  1  0.61  0.89  0.18  1.0
  Ga  Ga7  1  0.08  0.55  0.18  1.0
  As  As0  1  0.08  0.78  0.55  1.0
  As  As1  1  0.0  0.55  0.18  1.0

data_Ga3As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.74
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ga3As
_chemical_formula_sum   'Ga6 As2'
_cell_volume   155.35
_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  0.18  0.43  0.28  1.0
  Ga  Ga1  2  0.18  0.5  0.28  1.0
  Ga  Ga2  2  0.18  0.96  0.61  1.0
  As  As3  2  0.18  0.04  0.61  1.0

Ga Ga Ga Ga Ga Ga As As
Ga Ga Ga Ga Ga Ga As As 0 1 o o o 2 6 o o o 3 4 o o o 5 7 o o o 