[CIF]
data_ZnCu2H4(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91272200
_cell_length_b   7.91501700
_cell_length_c   9.76551007
_cell_angle_alpha   90.00000000
_cell_angle_beta   124.40685530
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2H4(SO4)2
_chemical_formula_sum   'Zn2 Cu4 H8 S4 O16'
_cell_volume   377.06164020
_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
  Zn  Zn0  1  -2.75907750  3.95750850  4.02849700  1
  Zn  Zn1  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu2  1  4.49979960  4.99087729  0.39914348  1
  Cu  Cu3  1  1.74072210  6.88164821  4.42764048  1
  Cu  Cu4  1  -4.10523260  2.92413971  7.65785052  1
  Cu  Cu5  1  -1.34615510  1.03336879  3.62935352  1
  H  H6  1  -1.11529566  4.06792299  6.14122614  1
  H  H7  1  1.64378184  7.80460251  2.11272914  1
  H  H8  1  1.50986266  3.84709401  1.91576786  1
  H  H9  1  -1.24921484  0.11041449  5.94426486  1
  H  H10  1  -0.51547106  4.86570130  4.86931684  1
  H  H11  1  2.24360644  7.00682420  0.84081984  1
  H  H12  1  0.91003806  3.04931570  3.18767716  1
  H  H13  1  -1.84903944  0.90819280  7.21617416  1
  S  S14  1  -1.28106592  6.91314206  2.98622814  1
  S  S15  1  -4.04014342  4.95938344  7.01472514  1
  S  S16  1  1.67563292  1.00187494  5.07076586  1
  S  S17  1  4.43471042  2.95563356  1.04226886  1
  O  O18  1  4.69591824  6.81801147  1.44435314  1
  O  O19  1  1.93684074  5.05451403  5.47285014  1
  O  O20  1  -4.30135124  1.09700553  6.61264086  1
  O  O21  1  -1.54227374  2.86050297  2.58414386  1
  O  O22  1  3.38769128  6.05825691  3.34387005  1
  O  O23  1  0.62861378  5.81426859  7.37236705  1
  O  O24  1  -2.99312428  1.85676009  4.71312395  1
  O  O25  1  -0.23404678  2.10074841  0.68462695  1
  O  O26  1  -0.09413767  6.16259266  3.54963762  1
  O  O27  1  -2.85321517  5.70993284  7.57813462  1
  O  O28  1  0.48870467  1.75242434  4.50735638  1
  O  O29  1  3.24778217  2.20508416  0.47885938  1
  O  O30  1  -1.07888178  4.10531353  5.16489572  1
  O  O31  1  1.68019572  7.76721197  1.13639872  1
  O  O32  1  1.47344878  3.80970347  2.89209828  1
  O  O33  1  -1.28562872  0.14780503  6.92059528  1
[/CIF]
