data_[Yb1Cu1H2Cl2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5430]
_cell_length_b [3.5430]
_cell_length_c [10.1679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YbCuH2(ClO)2]
_chemical_formula_sum '[Yb1 Cu1 H2 Cl2 O2]'
_cell_volume [110.5337]
_cell_formula_units_Z [1]
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  0.6667  0.3333  0.5090  1
  Cu  Cu1  1  0.0000  0.0000  0.0031  1
  H  H2  1  0.3333  0.6667  0.1710  1
  H  H3  1  0.3333  0.6667  0.6939  1
  Cl  Cl4  1  0.0000  0.0000  0.3326  1
  Cl  Cl5  1  0.6667  0.3333  0.8595  1
  O  O6  1  0.3333  0.6667  0.0739  1
  O  O7  1  0.3333  0.6667  0.5978  1
]