data_[Ti2Ga4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7847]
_cell_length_b [9.1603]
_cell_length_c [6.1419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(GaCl4)2]
_chemical_formula_sum '[Ti2 Ga4 Cl16]'
_cell_volume [715.3171]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  4  0.1822  0.0000  0.6353  1.0
  Cl  Cl2  8  0.0902  0.1827  0.7712  1.0
  Cl  Cl3  4  0.1525  0.5000  0.2574  1.0
  Cl  Cl4  4  0.1655  0.0000  0.2640  1.0
]