data_InGa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Cl
_chemical_formula_sum   'In1 Ga2 Cl1'
_cell_volume   92.64
_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  In3  1  0.0  0.0  0.4  1.0
  Ga  Ga1  1  0.62  0.62  0.02  1.0
  Ga  Ga2  1  0.62  0.62  0.78  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_InGa2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InGa2Cl
_chemical_formula_sum   'In2 Ga4 Cl2'
_cell_volume   185.28
_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  0.4  1.0
  Ga  Ga1  2  0.12  0.5  0.02  1.0
  Ga  Ga2  2  0.12  0.5  0.78  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

In Ga Ga Cl
In Ga Ga Cl 0 1 - - o 0 2 - - o 0 0 + o o 0 0 o + o 0 3 o o o 1 3 + + o 1 2 o o - 