data_[Sm8Hg2Ru4]
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 [P1]
_cell_length_a [7.4845]
_cell_length_b [7.5557]
_cell_length_c [7.8814]
_cell_angle_alpha [61.9718]
_cell_angle_beta [80.8770]
_cell_angle_gamma [74.7180]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sm4HgRu2]
_chemical_formula_sum '[Sm8 Hg2 Ru4]'
_cell_volume [379.1984]
_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  1  0.3232  0.8765  0.4397  1.0
  Sm  Sm1  1  0.3512  0.3821  0.4087  1.0
  Sm  Sm2  1  0.4314  0.3906  0.8622  1.0
  Sm  Sm3  1  0.4603  0.8672  0.8942  1.0
  Sm  Sm4  1  0.7818  0.0415  0.3593  1.0
  Sm  Sm5  1  0.7825  0.5502  0.3606  1.0
  Sm  Sm6  1  0.9263  0.2800  0.8275  1.0
  Sm  Sm7  1  0.9347  0.7683  0.8311  1.0
  Hg  Hg8  1  0.0882  0.3114  0.1693  1.0
  Hg  Hg9  1  0.0957  0.8275  0.1484  1.0
  Ru  Ru10  1  0.0825  0.6203  0.5615  1.0
  Ru  Ru11  1  0.6500  0.6924  0.6501  1.0
  Ru  Ru12  1  0.6672  0.1780  0.6510  1.0
  Ru  Ru13  1  0.6749  0.4640  0.0864  1.0
]