data_[Gd2H2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3659]
_cell_length_b [3.7292]
_cell_length_c [6.1086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GdHO2]
_chemical_formula_sum '[Gd2 H2 O4]'
_cell_volume [94.1757]
_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
[
  Gd  Gd0  2  0.3325  0.2500  0.1893  1.0
  H  H1  2  0.0211  0.7500  0.4274  1.0
  O  O2  2  0.2361  0.7500  0.9534  1.0
  O  O3  2  0.2484  0.7500  0.4389  1.0
]