data_[Cs2Ta1Br1Cl6]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8233]
_cell_length_b [7.2662]
_cell_length_c [10.1846]
_cell_angle_alpha [83.7575]
_cell_angle_beta [76.6732]
_cell_angle_gamma [84.5359]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2TaBrCl6]
_chemical_formula_sum '[Cs2 Ta1 Br1 Cl6]'
_cell_volume [415.7512]
_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  2  0.0974  0.4260  0.2846  1.0
  Ta  Ta1  1  0.0000  0.0000  0.0000  1.0
  Br  Br2  1  0.5000  0.5000  0.5000  1.0
  Cl  Cl3  2  0.1607  0.9291  0.1956  1.0
  Cl  Cl4  2  0.2300  0.2611  0.9344  1.0
  Cl  Cl5  2  0.3058  0.8088  0.8739  1.0
]