data_[Li4Mg16Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7240]
_cell_length_b [4.5437]
_cell_length_c [7.1802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Mg8Ru]
_chemical_formula_sum '[Li4 Mg16 Ru2]'
_cell_volume [437.6600]
_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  4  0.2292  0.0000  0.6468  1
  Mg  Mg1  4  0.0439  0.0000  0.7294  1
  Mg  Mg2  4  0.0943  0.5000  0.4297  1
  Mg  Mg3  4  0.1261  0.0000  0.1651  1
  Mg  Mg4  4  0.1711  0.5000  0.9180  1
  Ru  Ru5  2  0.0000  0.5000  0.0000  1
]