data_[Cu4H8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [2.9696]
_cell_length_b [10.4489]
_cell_length_c [5.6089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cu(HO)2]
_chemical_formula_sum '[Cu4 H8 O8]'
_cell_volume [174.0380]
_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
[
  Cu  Cu0  4  0.0000  0.1817  0.2488  1.0
  H  H1  4  0.0000  0.1166  0.7192  1.0
  H  H2  4  0.0000  0.4814  0.9211  1.0
  O  O3  4  0.0000  0.2044  0.6572  1.0
  O  O4  4  0.0000  0.4472  0.7571  1.0
]