data_[La2H4I2O4]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8221]
_cell_length_b [4.3006]
_cell_length_c [8.0568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaH2IO2]
_chemical_formula_sum '[La2 H4 I2 O4]'
_cell_volume [245.3398]
_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  2  0.2024  0.7500  0.5570  1.0
  H  H1  4  0.2913  0.5694  0.9744  1.0
  I  I2  2  0.2958  0.2500  0.2547  1.0
  O  O3  2  0.1175  0.2500  0.5985  1.0
  O  O4  2  0.3016  0.7500  0.9040  1.0
]