data_[Ba1Zn1H6Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [4.7993]
_cell_length_b [4.7993]
_cell_length_c [5.3531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [BaZnH6Ru]
_chemical_formula_sum '[Ba1 Zn1 H6 Ru1]'
_cell_volume [106.7776]
_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
[
  Ba  Ba0  1  0.3333  0.6667  0.0000  1.0
  Zn  Zn1  1  0.0000  0.0000  0.5000  1.0
  H  H2  6  0.3646  0.0820  0.3027  1.0
  Ru  Ru3  1  0.6667  0.3333  0.5000  1.0
]