data_[Ti3In3Ga6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [R3]
_cell_length_a [7.3241]
_cell_length_b [7.3241]
_cell_length_c [19.3210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TiIn(GaCl3)2]
_chemical_formula_sum '[Ti3 In3 Ga6 Cl18]'
_cell_volume [897.5806]
_cell_formula_units_Z [3]
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
[
  Ti  Ti0  3  0.0000  0.0000  0.6750  1.0
  In  In1  3  0.0000  0.0000  0.1885  1.0
  Ga  Ga2  3  0.0000  0.0000  0.4779  1.0
  Ga  Ga3  3  0.0000  0.0000  0.9926  1.0
  Cl  Cl4  9  0.0229  0.2873  0.7434  1.0
  Cl  Cl5  9  0.0687  0.6687  0.2616  1.0
]