data_[Cs2Ba1W1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  W  2.3600  1.3500  0.7667
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5402]
_cell_length_b [8.3971]
_cell_length_c [6.8497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs2BaWF8]
_chemical_formula_sum '[Cs2 Ba1 W1 F8]'
_cell_volume [259.7236]
_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  0.5000  0.2402  0.5000  1.0
  Ba  Ba1  1  0.0000  0.5000  0.0000  1.0
  W  W2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0784  0.1934  0.8239  1.0
  F  F4  2  0.3831  0.0000  0.1711  1.0
  F  F5  2  0.4846  0.5000  0.7789  1.0
]