data_[Ba2Hg2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5419]
_cell_length_b [3.1827]
_cell_length_c [7.5973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaHgW2]
_chemical_formula_sum '[Ba2 Hg2 W4]'
_cell_volume [204.3834]
_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  0.4973  0.0000  0.5174  1
  Hg  Hg1  2  0.2382  0.5000  0.1831  1
  W  W2  2  0.2708  0.0000  0.8363  1
  W  W3  2  0.4937  0.5000  0.9632  1
]