data_[Yb2H2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5825]
_cell_length_b [3.5825]
_cell_length_c [9.5094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [YbHO2]
_chemical_formula_sum '[Yb2 H2 O4]'
_cell_volume [105.6942]
_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
[
  Yb  Yb0  1  0.0000  0.0000  0.0000  1
  Yb  Yb1  1  0.0000  0.0000  0.5000  1
  H  H2  2  0.3333  0.6667  0.2210  1
  O  O3  2  0.3333  0.6667  0.1157  1
  O  O4  2  0.3333  0.6667  0.3970  1
]