data_[Cs1Na2Ta1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3323]
_cell_length_b [8.0620]
_cell_length_c [10.4773]
_cell_angle_alpha [70.0895]
_cell_angle_beta [79.6436]
_cell_angle_gamma [88.5398]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNa2TaBr8]
_chemical_formula_sum '[Cs1 Na2 Ta1 Br8]'
_cell_volume [494.3401]
_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  0.5000  0.5000  1.0
  Na  Na1  2  0.4269  0.9755  0.6853  1.0
  Ta  Ta2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1258  0.9929  0.2218  1.0
  Br  Br4  2  0.2442  0.7523  0.9816  1.0
  Br  Br5  2  0.2904  0.2279  0.8542  1.0
  Br  Br6  2  0.4828  0.7239  0.5542  1.0
]