data_[Ta1Tl1Ga2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9314]
_cell_length_b [7.1613]
_cell_length_c [8.9290]
_cell_angle_alpha [77.4854]
_cell_angle_beta [74.8936]
_cell_angle_gamma [85.4854]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaTl(GaCl4)2]
_chemical_formula_sum '[Ta1 Tl1 Ga2 Cl8]'
_cell_volume [417.6180]
_cell_formula_units_Z [1]
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
[
  Ta  Ta0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.4459  0.4531  0.7303  1.0
  Cl  Cl3  2  0.1493  0.6952  0.0559  1.0
  Cl  Cl4  2  0.2126  0.1263  0.1225  1.0
  Cl  Cl5  2  0.2462  0.0736  0.7512  1.0
  Cl  Cl6  2  0.2699  0.6251  0.5087  1.0
]