data_[Hg2Mo4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6322]
_cell_length_b [3.0047]
_cell_length_c [4.6869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgMo2Ru]
_chemical_formula_sum '[Hg2 Mo4 Ru2]'
_cell_volume [132.4057]
_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  0.5000  0.0000  1
  Mo  Mo1  4  0.2424  0.5000  0.7151  1
  Ru  Ru2  2  0.0000  0.0000  0.5000  1
]