data_[Ga2H2Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [5.3292]
_cell_length_b [5.3292]
_cell_length_c [4.1489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [GaHRu3]
_chemical_formula_sum '[Ga2 H2 Ru6]'
_cell_volume [117.8288]
_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
[
  Ga  Ga0  2  0.0000  0.5000  0.4363  1
  Ru  Ru1  4  0.1941  0.3059  0.9372  1
  Ru  Ru2  2  0.0000  0.0000  0.4235  1
  H  H3  2  0.0000  0.0000  0.8909  1
]