data_[Cu8As4H28O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.0331]
_cell_length_b [9.8981]
_cell_length_c [10.3025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [Cu2AsH7O8]
_chemical_formula_sum '[Cu8 As4 H28 O32]'
_cell_volume [615.2256]
_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  0.0296  0.7390  0.4857  1
  Cu  Cu1  4  0.1714  0.2983  0.7431  1
  As  As2  4  0.2166  0.3913  0.2381  1
  H  H3  4  0.0084  0.6745  0.9292  1
  H  H4  4  0.1211  0.0662  0.3217  1
  H  H5  4  0.1613  0.0244  0.8301  1
  H  H6  4  0.1662  0.2829  0.5036  1
  H  H7  4  0.2079  0.4477  0.9420  1
  H  H8  4  0.2273  0.9757  0.0256  1
  H  H9  4  0.2389  0.9333  0.6497  1
  O  O10  4  0.0033  0.7944  0.3077  1
  O  O11  4  0.0372  0.6727  0.6680  1
  O  O12  4  0.1475  0.2126  0.5741  1
  O  O13  4  0.1665  0.5501  0.1779  1
  O  O14  4  0.2007  0.3455  0.9313  1
  O  O15  4  0.2148  0.9323  0.8094  1
  O  O16  4  0.2319  0.0702  0.0539  1
  O  O17  4  0.2444  0.6070  0.9025  1
]