data_[La2H6O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8311]
_cell_length_b [6.5709]
_cell_length_c [6.6122]
_cell_angle_alpha [60.5849]
_cell_angle_beta [87.8151]
_cell_angle_gamma [87.6129]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La(HO)3]
_chemical_formula_sum '[La2 H6 O6]'
_cell_volume [144.8390]
_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  1  0.2175  0.6609  0.6640  1.0
  La  La1  1  0.7273  0.3305  0.3264  1.0
  H  H2  1  0.1303  0.7137  0.1298  1.0
  H  H3  1  0.2359  0.1315  0.1386  1.0
  H  H4  1  0.2427  0.1388  0.6991  1.0
  H  H5  1  0.6425  0.8612  0.8510  1.0
  H  H6  1  0.6439  0.8449  0.2878  1.0
  H  H7  1  0.7574  0.2716  0.8617  1.0
  O  O8  1  0.2189  0.3071  0.5948  1.0
  O  O9  1  0.2347  0.6125  0.0720  1.0
  O  O10  1  0.2542  0.0757  0.3046  1.0
  O  O11  1  0.7119  0.9147  0.6885  1.0
  O  O12  1  0.7287  0.3894  0.9108  1.0
  O  O13  1  0.7391  0.6868  0.3847  1.0
]