data_[Hg8W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1231]
_cell_length_b [2.8909]
_cell_length_c [7.7740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hg2W]
_chemical_formula_sum '[Hg8 W4]'
_cell_volume [242.1550]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  2  0.0069  0.0000  0.9978  1
  Hg  Hg1  2  0.1408  0.5000  0.3517  1
  Hg  Hg2  2  0.3541  0.0000  0.6647  1
  Hg  Hg3  2  0.3603  0.0000  0.2554  1
  W  W4  2  0.0816  0.0000  0.6431  1
  W  W5  2  0.2230  0.5000  0.9207  1
]