data_[Li4Sn16Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [20.9941]
_cell_length_b [4.3338]
_cell_length_c [6.1386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Sn8Ru]
_chemical_formula_sum '[Li4 Sn16 Ru2]'
_cell_volume [538.1200]
_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
[
  Li  Li0  4  0.2080  0.0000  0.6007  1.0
  Sn  Sn1  4  0.0151  0.0000  0.2786  1.0
  Sn  Sn2  4  0.1080  0.5000  0.8149  1.0
  Sn  Sn3  4  0.1251  0.5000  0.3307  1.0
  Sn  Sn4  4  0.2087  0.0000  0.0987  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]