data_[In6Ga2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1813]
_cell_length_b [7.9249]
_cell_length_c [12.6518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [In3GaCl6]
_chemical_formula_sum '[In6 Ga2 Cl12]'
_cell_volume [604.8283]
_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  In0  4  0.2129  0.0778  0.7379  1.0
  In  In1  2  0.5000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1682  0.1726  0.4653  1.0
  Cl  Cl4  4  0.2727  0.7283  0.4473  1.0
  Cl  Cl5  4  0.3636  0.0344  0.2665  1.0
]