data_[Cs1Ta1Ga2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  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 [6.7476]
_cell_length_b [7.4146]
_cell_length_c [9.2178]
_cell_angle_alpha [111.8282]
_cell_angle_beta [91.9080]
_cell_angle_gamma [90.0579]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTa(GaCl4)2]
_chemical_formula_sum '[Cs1 Ta1 Ga2 Cl8]'
_cell_volume [427.8254]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Ta  Ta1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  2  0.4924  0.6202  0.7235  1.0
  Cl  Cl3  2  0.0546  0.2755  0.2404  1.0
  Cl  Cl4  2  0.1904  0.8040  0.1017  1.0
  Cl  Cl5  2  0.2871  0.0848  0.8990  1.0
  Cl  Cl6  2  0.4713  0.7338  0.4886  1.0
]