data_[Na1La1H6Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9631]
_cell_length_b [4.9631]
_cell_length_c [4.3762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NaLaH6Ru]
_chemical_formula_sum '[Na1 La1 H6 Ru1]'
_cell_volume [93.3550]
_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
[
  Na  Na0  1  0.0000  0.0000  0.3254  1.0
  La  La1  1  0.3333  0.6667  0.8300  1.0
  H  H2  3  0.0055  0.5028  0.3262  1.0
  H  H3  3  0.3420  0.1710  0.7727  1.0
  Ru  Ru4  1  0.6667  0.3333  0.5475  1.0
]