data_[K2Ba2W4]
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
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.4475]
_cell_length_b [5.3308]
_cell_length_c [11.9370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [KBaW2]
_chemical_formula_sum '[K2 Ba2 W4]'
_cell_volume [219.3777]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.7940  1
  Ba  Ba1  2  0.0000  0.0000  0.4477  1
  W  W2  2  0.0000  0.0000  0.0540  1
  W  W3  2  0.0000  0.5000  0.2044  1
]