data_[Sm20Hg8Ru8]
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 [Cmce]
_cell_length_a [16.1347]
_cell_length_b [7.6063]
_cell_length_c [7.8315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm5(HgRu)2]
_chemical_formula_sum '[Sm20 Hg8 Ru8]'
_cell_volume [961.1225]
_cell_formula_units_Z [4]
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  16  0.1193  0.1677  0.6691  1.0
  Sm  Sm1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.2146  0.0000  0.0000  1.0
  Ru  Ru3  8  0.0000  0.1316  0.3662  1.0
]