data_[In4Ga4Cl12]
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 [7.5625]
_cell_length_b [8.6304]
_cell_length_c [12.1998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [InGaCl3]
_chemical_formula_sum '[In4 Ga4 Cl12]'
_cell_volume [667.8995]
_cell_formula_units_Z [4]
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  0.2633  0.1170  0.7422  1.0
  Ga  Ga1  4  0.3635  0.5954  0.9372  1.0
  Cl  Cl2  4  0.1047  0.5152  0.7350  1.0
  Cl  Cl3  4  0.1867  0.6745  0.0289  1.0
  Cl  Cl4  4  0.4941  0.1855  0.0869  1.0
]