data_[Sn14Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.8356]
_cell_length_b [6.8356]
_cell_length_c [10.1069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Sn7Ru4]
_chemical_formula_sum '[Sn14 Ru8]'
_cell_volume [472.2481]
_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
[
  Sn  Sn0  8  0.1696  0.1696  0.2935  1.0
  Sn  Sn1  4  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  8  0.1827  0.8173  0.4232  1.0
]