data_[Li8La24Ru8]
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 [C2/c]
_cell_length_a [12.6205]
_cell_length_b [15.2240]
_cell_length_c [6.9786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiLa3Ru]
_chemical_formula_sum '[Li8 La24 Ru8]'
_cell_volume [1339.7897]
_cell_formula_units_Z [8]
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  8  0.1088  0.4388  0.6110  1
  La  La1  8  0.1180  0.3309  0.0858  1
  La  La2  8  0.1270  0.0654  0.0944  1
  La  La3  8  0.1274  0.1980  0.5946  1
  Ru  Ru4  4  0.0000  0.0740  0.7500  1
  Ru  Ru5  4  0.0000  0.2156  0.2500  1
]