data_[Ba2Cu2H12Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0440]
_cell_length_b [4.9646]
_cell_length_c [8.0985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaCuH6Ru]
_chemical_formula_sum '[Ba2 Cu2 H12 Ru2]'
_cell_volume [202.7996]
_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
[
  Ba  Ba0  2  0.5000  0.0000  0.9983  1.0
  Cu  Cu1  2  0.0000  0.0000  0.3280  1.0
  H  H2  8  0.2197  0.2495  0.2368  1.0
  H  H3  4  0.1917  0.0000  0.5186  1.0
  Ru  Ru4  2  0.0000  0.0000  0.6863  1.0
]