data_[U4Cu2As4H32O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  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 [P4/n]
_cell_length_a [7.0113]
_cell_length_b [7.0113]
_cell_length_c [17.1054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [85]
_chemical_formula_structural [U2CuAs2(H4O5)4]
_chemical_formula_sum '[U4 Cu2 As4 H32 O40]'
_cell_volume [840.8785]
_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
[
  U  U0  2  0.0000  0.5000  0.0578  1
  U  U1  2  0.0000  0.5000  0.5588  1
  Cu  Cu2  2  0.0000  0.5000  0.3077  1
  As  As3  2  0.0000  0.0000  0.0000  1
  As  As4  2  0.0000  0.0000  0.5000  1
  H  H5  8  0.0357  0.2912  0.8004  1
  H  H6  8  0.0805  0.1737  0.3570  1
  H  H7  8  0.1114  0.1735  0.2651  1
  H  H8  8  0.1204  0.8127  0.8537  1
  O  O9  8  0.0219  0.2208  0.3076  1
  O  O10  8  0.0723  0.1793  0.0608  1
  O  O11  8  0.0795  0.8219  0.5602  1
  O  O12  8  0.1021  0.7493  0.8024  1
  O  O13  2  0.0000  0.5000  0.1630  1
  O  O14  2  0.0000  0.5000  0.4538  1
  O  O15  2  0.0000  0.5000  0.6629  1
  O  O16  2  0.0000  0.5000  0.9535  1
]