data_In2GaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.19
_cell_angle_alpha   93.5
_cell_angle_beta   93.5
_cell_angle_gamma   33.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaCl
_chemical_formula_sum   'In2 Ga1 Cl1'
_cell_volume   102.13
_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  1.0  0.0  0.11  1.0
  In  In3  1  0.66  0.0  0.82  1.0
  Ga  Ga1  1  0.48  0.0  0.27  1.0
  Cl  Cl0  1  0.59  0.0  0.58  1.0

data_In2GaCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.19
_cell_length_c   5.99
_cell_angle_alpha   93.5
_cell_angle_beta   106.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaCl
_chemical_formula_sum   'In2 Ga1 Cl1'
_cell_volume   102.13
_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  In0  1  0.0  0.11  1.0  1.0
  In  In1  1  0.0  0.82  0.66  1.0
  Ga  Ga2  1  0.0  0.27  0.48  1.0
  Cl  Cl3  1  0.0  0.58  0.59  1.0

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