data_[Re2Hg4Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.4218]
_cell_length_b [2.8373]
_cell_length_c [9.5560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReHg2Ru]
_chemical_formula_sum '[Re2 Hg4 Ru2]'
_cell_volume [164.2611]
_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  0.0355  0.5000  0.4575  1
  Hg  Hg1  2  0.2808  0.0000  0.7279  1
  Hg  Hg2  2  0.4713  0.5000  0.0235  1
  Ru  Ru3  2  0.2124  0.5000  0.2911  1
]