data_[Tl2Cr2Ga2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7128]
_cell_length_b [10.7982]
_cell_length_c [7.1454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlCrGaCl6]
_chemical_formula_sum '[Tl2 Cr2 Ga2 Cl12]'
_cell_volume [517.1009]
_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
[
  Tl  Tl0  2  0.0000  0.0071  0.0000  1.0
  Cr  Cr1  2  0.0000  0.3342  0.5000  1.0
  Ga  Ga2  2  0.0000  0.6756  0.5000  1.0
  Cl  Cl3  4  0.1205  0.4998  0.6956  1.0
  Cl  Cl4  4  0.1617  0.8105  0.7105  1.0
  Cl  Cl5  4  0.1927  0.1815  0.6762  1.0
]