data_[Li4Co4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0229]
_cell_length_b [3.8512]
_cell_length_c [4.9553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCoRu]
_chemical_formula_sum '[Li4 Co4 Ru4]'
_cell_volume [148.2824]
_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  2  0.0985  0.0000  0.3896  1
  Li  Li1  2  0.4513  0.0000  0.5000  1
  Co  Co2  2  0.2582  0.5000  0.2158  1
  Co  Co3  2  0.4487  0.0000  0.9988  1
  Ru  Ru4  2  0.1315  0.0000  0.9092  1
  Ru  Ru5  2  0.3028  0.5000  0.7189  1
]