data_[Ba4As6W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [7.9225]
_cell_length_b [20.1157]
_cell_length_c [12.5206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ba2As3W]
_chemical_formula_sum '[Ba4 As6 W2]'
_cell_volume [1555.3428]
_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
[
  Ba  Ba0  2  0.1580  0.4383  0.3011  1
  Ba  Ba1  2  0.6467  0.4545  0.7795  1
  As  As2  2  0.1753  0.4868  0.0462  1
  As  As3  2  0.6950  0.4666  0.5472  1
  As  As4  2  0.7821  0.3728  0.3088  1
  W  W5  2  0.9459  0.4256  0.5171  1
]