data_[La12H2Ru4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0106]
_cell_length_b [12.1554]
_cell_length_c [8.0357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6HRu2Cl3]
_chemical_formula_sum '[La12 H2 Ru4 Cl6]'
_cell_volume [654.8260]
_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
[
  La  La0  8  0.2358  0.8320  0.2034  1.0
  La  La1  4  0.2315  0.5000  0.2030  1.0
  Ru  Ru2  4  0.0000  0.3337  0.0000  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1738  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]