data_[Li4La12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9687]
_cell_length_b [6.4617]
_cell_length_c [11.0671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiLa3Ru]
_chemical_formula_sum '[Li4 La12 Ru4]'
_cell_volume [602.4153]
_cell_formula_units_Z [4]
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  0.1361  0.6916  0.0620  1.0
  La  La1  4  0.0130  0.0284  0.7778  1.0
  La  La2  4  0.3119  0.2223  0.1631  1.0
  La  La3  4  0.3837  0.7493  0.9395  1.0
  Ru  Ru4  4  0.2768  0.2290  0.3943  1.0
]