data_[Sr1Sb4Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.6005]
_cell_length_b [7.6005]
_cell_length_c [4.1051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sr(Sb2Ru3)2]
_chemical_formula_sum '[Sr1 Sb4 Ru6]'
_cell_volume [205.3670]
_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
[
  Sr  Sr0  1  0.6667  0.3333  0.0000  1
  Sb  Sb1  3  0.0493  0.5246  0.5000  1
  Sb  Sb2  1  0.0000  0.0000  0.0000  1
  Ru  Ru3  3  0.2046  0.4093  0.0000  1
  Ru  Ru4  3  0.2555  0.1277  0.5000  1
]