data_[Li2Cu1H6Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6329]
_cell_length_b [4.7089]
_cell_length_c [4.7322]
_cell_angle_alpha [93.2308]
_cell_angle_beta [117.7772]
_cell_angle_gamma [117.7142]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CuH6Ru]
_chemical_formula_sum '[Li2 Cu1 H6 Ru1]'
_cell_volume [75.7861]
_cell_formula_units_Z [1]
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  0.4968  0.2487  0.7471  1
  Cu  Cu1  1  0.0000  0.5000  0.5000  1
  H  H2  2  0.0210  0.7670  0.2667  1
  H  H3  2  0.1381  0.3205  0.3196  1
  H  H4  2  0.4985  0.7774  0.7994  1
  Ru  Ru5  1  0.0000  0.0000  0.0000  1
]