data_[Li4Ga6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4572]
_cell_length_b [5.7624]
_cell_length_c [6.9399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2Ga3Ru]
_chemical_formula_sum '[Li4 Ga6 Ru2]'
_cell_volume [171.8259]
_cell_formula_units_Z [2]
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  0.3272  0.5000  0.6852  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Li  Li2  1  0.0000  0.5000  0.0000  1
  Ga  Ga3  4  0.1836  0.2477  0.3408  1
  Ga  Ga4  2  0.5000  0.2369  0.0000  1
  Ru  Ru5  2  0.3186  0.0000  0.6695  1
]