data_[Li1Mg3H8Ru2]
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
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7601]
_cell_length_b [4.7601]
_cell_length_c [6.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiMg3(H4Ru)2]
_chemical_formula_sum '[Li1 Mg3 H8 Ru2]'
_cell_volume [122.7596]
_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  1  0.0000  0.0000  0.5000  1
  Mg  Mg1  2  0.3333  0.6667  0.6357  1
  Mg  Mg2  1  0.0000  0.0000  0.0000  1
  H  H3  6  0.1554  0.3108  0.3028  1
  Ru  Ru4  2  0.3333  0.6667  0.1783  1
  H  H5  2  0.3333  0.6667  0.9210  1
]