[CIF]
data_ZnCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63478547
_cell_length_b   6.33300902
_cell_length_c   7.50049968
_cell_angle_alpha   95.93605580
_cell_angle_beta   90.46867607
_cell_angle_gamma   109.49862643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuP2O7
_chemical_formula_sum   'Zn2 Cu2 P4 O14'
_cell_volume   250.69294498
_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  2.34689063  3.75146945  2.65410761  1
  Zn  Zn1  1  1.11268315  1.37373073  4.79843352  1
  Cu  Cu2  1  3.75144630  0.14911439  6.09848714  1
  Cu  Cu3  1  -0.29187253  4.97608578  1.35405399  1
  P  P4  1  3.20061087  3.24526529  6.63817200  1
  P  P5  1  0.25896290  1.87993488  0.81436913  1
  P  P6  1  3.91258125  0.96805560  2.89171004  1
  P  P7  1  -0.45300747  4.15714458  4.56083109  1
  O  O8  1  3.65069474  4.23725352  0.67068794  1
  O  O9  1  -0.19112096  0.88794666  6.78185319  1
  O  O10  1  2.22447527  4.27823972  6.13461274  1
  O  O11  1  1.23509850  0.84696046  1.31792839  1
  O  O12  1  2.68155726  1.81476258  6.31294534  1
  O  O13  1  0.77801652  3.31043760  1.13959579  1
  O  O14  1  0.74045177  3.28528767  4.15719967  1
  O  O15  1  2.71912200  1.83991251  3.29534146  1
  O  O16  1  4.93639266  0.79146736  3.99575505  1
  O  O17  1  -1.47681888  4.33373282  3.45678608  1
  O  O18  1  4.49908219  1.74269568  1.61385889  1
  O  O19  1  2.09419245  -0.40954939  5.09193725  1
  O  O20  1  1.36538132  5.53474956  2.36060388  1
  O  O21  1  -1.03950842  3.38250449  5.83868224  1
[/CIF]
