data_[Re2Hg4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.0936]
_cell_length_b [4.8740]
_cell_length_c [10.1553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ReHg2W]
_chemical_formula_sum '[Re2 Hg4 W2]'
_cell_volume [153.1227]
_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
[
  Re  Re0  2  0.0000  0.0000  0.5260  1
  Hg  Hg1  2  0.0000  0.0000  0.9819  1
  Hg  Hg2  2  0.0000  0.5000  0.2686  1
  W  W3  2  0.0000  0.5000  0.7235  1
]