data_[Sm24Hg8Ru8]
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 [Fmmm]
_cell_length_a [6.6240]
_cell_length_b [10.0863]
_cell_length_c [15.9676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm3HgRu]
_chemical_formula_sum '[Sm24 Hg8 Ru8]'
_cell_volume [1066.8184]
_cell_formula_units_Z [8]
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  0.0000  0.1889  0.1105  1
  Sm  Sm1  8  0.0000  0.0000  0.3032  1
  Hg  Hg2  8  0.2138  0.0000  0.5000  1
  Ru  Ru3  8  0.2500  0.2500  0.2500  1
]