data_InGaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.33
_cell_length_c   3.45
_cell_angle_alpha   82.9
_cell_angle_beta   70.72
_cell_angle_gamma   26.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaCl
_chemical_formula_sum   'In1 Ga1 Cl1'
_cell_volume   74.53
_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  0.77  0.96  0.44  1.0
  Ga  Ga1  1  0.77  0.96  0.97  1.0
  Cl  Cl0  1  0.77  0.96  0.05  1.0

data_InGaCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.54
_cell_length_b   14.23
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   120.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InGaCl
_chemical_formula_sum   'In2 Ga2 Cl2'
_cell_volume   149.07
_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  0.44  0.0  0.21  1.0
  Ga  Ga1  2  0.47  0.5  0.74  1.0
  Cl  Cl2  2  0.05  0.0  0.82  1.0

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