data_[La4H4O8]
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 [Cc]
_cell_length_a [6.9012]
_cell_length_b [4.2070]
_cell_length_c [7.7485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LaHO2]
_chemical_formula_sum '[La4 H4 O8]'
_cell_volume [205.0524]
_cell_formula_units_Z [4]
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  4  0.0090  0.3604  0.7543  1.0
  H  H1  4  0.0001  0.0240  0.4933  1.0
  O  O2  4  0.1270  0.2067  0.1224  1.0
  O  O3  4  0.4030  0.2970  0.8996  1.0
]