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 [C2/m]
_cell_length_a [12.6167]
_cell_length_b [5.8108]
_cell_length_c [9.3004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiLa3Ru]
_chemical_formula_sum '[Li4 La12 Ru4]'
_cell_volume [634.5770]
_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  0.0936  0.5000  0.4461  1.0
  La  La1  4  0.1088  0.0000  0.2264  1.0
  La  La2  4  0.1269  0.5000  0.9236  1.0
  La  La3  4  0.1563  0.0000  0.6582  1.0
  Ru  Ru4  4  0.1232  0.0000  0.9184  1.0
]