data_[Cr2Hg2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1757]
_cell_length_b [2.8731]
_cell_length_c [4.8203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrHgRu2]
_chemical_formula_sum '[Cr2 Hg2 Ru4]'
_cell_volume [124.5939]
_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
[
  Cr  Cr0  2  0.0103  0.5000  0.5299  1
  Hg  Hg1  2  0.2505  0.5000  0.2565  1
  Ru  Ru2  2  0.2492  0.0000  0.7595  1
  Ru  Ru3  2  0.4899  0.5000  0.9542  1
]