data_[K2Ba1W1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [4.4907]
_cell_length_b [8.1948]
_cell_length_c [6.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2BaWF8]
_chemical_formula_sum '[K2 Ba1 W1 F8]'
_cell_volume [224.6439]
_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
[
  K  K0  2  0.5000  0.2445  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  0.0956  0.1892  0.8038  1.0
  F  F4  2  0.3834  0.0000  0.1936  1.0
  F  F5  2  0.4865  0.5000  0.7573  1.0
]