data_[Mg8H16Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [6.9990]
_cell_length_b [8.4499]
_cell_length_c [4.8160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mg2H4Ru]
_chemical_formula_sum '[Mg8 H16 Ru4]'
_cell_volume [284.8221]
_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
[
  Mg  Mg0  8  0.2106  0.1414  0.2500  1.0
  H  H1  8  0.0000  0.2780  0.5153  1.0
  H  H2  8  0.2421  0.1117  0.7500  1.0
  Ru  Ru3  4  0.0000  0.1319  0.7500  1.0
]