data_[Hg2Ir4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.7888]
_cell_length_b [7.7888]
_cell_length_c [2.7907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Hg(IrW)2]
_chemical_formula_sum '[Hg2 Ir4 W4]'
_cell_volume [169.2964]
_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
[
  Hg  Hg0  2  0.0000  0.0000  0.0000  1
  Ir  Ir1  4  0.1272  0.3728  0.0000  1
  W  W2  4  0.1640  0.6640  0.5000  1
]