data_InGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   52.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2
_chemical_formula_sum   'In2 Ga4'
_cell_volume   131.27
_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
  In  In4  1  0.1  0.6  0.27  1.0
  In  In5  1  0.1  0.4  0.81  1.0
  Ga  Ga0  1  0.26  0.09  0.27  1.0
  Ga  Ga1  1  0.95  0.91  0.81  1.0
  Ga  Ga2  1  0.95  0.09  0.27  1.0
  Ga  Ga3  1  0.26  0.91  0.81  1.0

data_InGa2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.06
_cell_length_b   5.09
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   116.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InGa2
_chemical_formula_sum   'In2 Ga4'
_cell_volume   131.27
_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
  In  In0  2  0.4  0.77  0.4  1.0
  Ga  Ga1  2  0.09  0.23  0.25  1.0
  Ga  Ga2  2  0.09  0.23  0.94  1.0

In In Ga Ga Ga Ga
In In Ga Ga Ga Ga 0 1 o o - 0 2 o o o 0 3 - o - 0 4 - + o 1 2 o o + 1 5 o - o 1 3 - o o 2 4 - o o 3 5 + o o 