data_[Sb8Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2549]
_cell_length_b [6.3813]
_cell_length_c [7.0794]
_cell_angle_alpha [80.4787]
_cell_angle_beta [76.3759]
_cell_angle_gamma [71.4222]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sb8Ru]
_chemical_formula_sum '[Sb8 Ru1]'
_cell_volume [259.0530]
_cell_formula_units_Z [1]
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
[
  Sb  Sb0  2  0.1930  0.4664  0.8104  1
  Sb  Sb1  2  0.2505  0.8828  0.8849  1
  Sb  Sb2  2  0.2925  0.7123  0.2903  1
  Sb  Sb3  2  0.3109  0.1304  0.3876  1
  Ru  Ru4  1  0.0000  0.5000  0.5000  1
]