data_[Li4Ga16Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1910]
_cell_length_b [4.0784]
_cell_length_c [5.5078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ga8Ru]
_chemical_formula_sum '[Li4 Ga16 Ru2]'
_cell_volume [383.1338]
_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  0.2050  0.0000  0.5996  1.0
  Ga  Ga1  4  0.0073  0.0000  0.7343  1.0
  Ga  Ga2  4  0.1195  0.5000  0.3205  1.0
  Ga  Ga3  4  0.1288  0.5000  0.8097  1.0
  Ga  Ga4  4  0.2038  0.0000  0.0978  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]