data_[Sr6Sn6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4115]
_cell_length_b [4.4445]
_cell_length_c [5.7108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Sn3Ru2]
_chemical_formula_sum '[Sr6 Sn6 Ru4]'
_cell_volume [458.7507]
_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
[
  Sr  Sr0  4  0.1597  0.0000  0.5437  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.1367  0.5000  0.0300  1
  Sn  Sn3  2  0.0000  0.5000  0.5000  1
  Ru  Ru4  4  0.2239  0.0000  0.0521  1
]