data_[Ce2H6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [4.5052]
_cell_length_b [5.1996]
_cell_length_c [5.3073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeH3Ru]
_chemical_formula_sum '[Ce2 H6 Ru2]'
_cell_volume [112.8826]
_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
[
  Ce  Ce0  2  0.1531  0.2500  0.2917  1
  H  H1  4  0.4078  0.5541  0.7718  1
  H  H2  2  0.2666  0.7500  0.3339  1
  Ru  Ru3  2  0.4367  0.7500  0.0962  1
]