data_[Ti4Ga2Cl16]
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 [13.4162]
_cell_length_b [9.3034]
_cell_length_c [6.9495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2GaCl8]
_chemical_formula_sum '[Ti4 Ga2 Cl16]'
_cell_volume [853.6253]
_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  4  0.2038  0.0000  0.6669  1.0
  Ga  Ga1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1239  0.1855  0.7779  1.0
  Cl  Cl3  4  0.1337  0.5000  0.2064  1.0
  Cl  Cl4  4  0.1796  0.0000  0.3396  1.0
]