data_[La6Sn6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [16.7679]
_cell_length_b [4.8417]
_cell_length_c [5.2259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Sn3Ru2]
_chemical_formula_sum '[La6 Sn6 Ru4]'
_cell_volume [419.5201]
_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
[
  La  La0  4  0.1687  0.0000  0.5775  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1385  0.5000  0.0569  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Ru  Ru4  4  0.2089  0.0000  0.0996  1.0
]