data_[La1H2Ru1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6653]
_cell_length_b [5.4890]
_cell_length_c [5.5017]
_cell_angle_alpha [71.5841]
_cell_angle_beta [67.1647]
_cell_angle_gamma [77.9720]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaH2RuO6]
_chemical_formula_sum '[La1 H2 Ru1 O6]'
_cell_volume [122.6003]
_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
[
  La  La0  1  0.5085  0.4721  0.5356  1.0
  H  H1  1  0.4310  0.1700  0.2214  1.0
  H  H2  1  0.9418  0.8545  0.5036  1.0
  Ru  Ru3  1  0.9928  0.9760  0.9895  1.0
  O  O4  1  0.0154  0.7223  0.4022  1.0
  O  O5  1  0.2129  0.1807  0.0318  1.0
  O  O6  1  0.3113  0.7695  0.8164  1.0
  O  O7  1  0.6209  0.1933  0.2476  1.0
  O  O8  1  0.6915  0.7726  0.0970  1.0
  O  O9  1  0.9368  0.1915  0.6773  1.0
]