data_[Mg2H6Ru2]
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 [P2_1/m]
_cell_length_a [4.7068]
_cell_length_b [2.9862]
_cell_length_c [6.1817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgH3Ru]
_chemical_formula_sum '[Mg2 H6 Ru2]'
_cell_volume [84.8642]
_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
[
  Mg  Mg0  2  0.1971  0.7500  0.2936  1
  H  H1  2  0.0394  0.7500  0.6238  1
  H  H2  2  0.2807  0.2500  0.9932  1
  Ru  Ru3  2  0.3423  0.7500  0.8161  1
  H  H4  2  0.3604  0.2500  0.6539  1
]