data_[Sm16Hg4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0317]
_cell_length_b [5.3118]
_cell_length_c [6.9794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Hg2Ru]
_chemical_formula_sum '[Sm16 Hg4 Ru2]'
_cell_volume [643.6983]
_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
[
  Sm  Sm0  4  0.0235  0.0000  0.7862  1.0
  Sm  Sm1  4  0.0882  0.5000  0.4295  1.0
  Sm  Sm2  4  0.1528  0.5000  0.9594  1.0
  Sm  Sm3  4  0.1989  0.0000  0.3015  1.0
  Hg  Hg4  4  0.1882  0.0000  0.7253  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]