data_[Cs1Na2W1Br8]
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
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1982]
_cell_length_b [8.1764]
_cell_length_c [10.5354]
_cell_angle_alpha [68.4100]
_cell_angle_beta [78.7101]
_cell_angle_gamma [89.2192]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNa2WBr8]
_chemical_formula_sum '[Cs1 Na2 W1 Br8]'
_cell_volume [485.8556]
_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  0.4144  0.9706  0.6860  1.0
  W  W2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1224  0.9998  0.2182  1.0
  Br  Br4  2  0.2488  0.7564  0.9912  1.0
  Br  Br5  2  0.2975  0.2272  0.8490  1.0
  Br  Br6  2  0.4805  0.7229  0.5577  1.0
]