data_InGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   127.55
_cell_angle_beta   127.55
_cell_angle_gamma   77.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Sn
_chemical_formula_sum   'In1 Ga2 Sn1'
_cell_volume   93.27
_cell_formula_units_Z   1
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  In2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.36  0.09  1.0
  Ga  Ga1  1  0.36  0.0  0.09  1.0
  Sn  Sn3  1  0.0  0.0  0.17  1.0

data_InGa2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   128.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InGa2Sn
_chemical_formula_sum   'In2 Ga4 Sn2'
_cell_volume   186.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Ga  Ga1  4  0.09  0.18  0.28  1.0
  Sn  Sn2  2  0.33  0.5  0.83  1.0

In Ga Ga Sn
In Ga Ga Sn 0 3 o o o 0 1 o o o 0 2 o o o 