data_[Zn3Cu3Mo6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9187]
_cell_length_b [8.5714]
_cell_length_c [10.0794]
_cell_angle_alpha [100.6885]
_cell_angle_beta [106.4594]
_cell_angle_gamma [101.0082]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnCu(MoO4)2]
_chemical_formula_sum '[Zn3 Cu3 Mo6 O24]'
_cell_volume [544.1658]
_cell_formula_units_Z [3]
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  0.0344  0.1105  0.2814  1
  Zn  Zn1  1  0.4595  0.2918  0.5167  1
  Zn  Zn2  1  0.9636  0.8882  0.7187  1
  Cu  Cu3  1  0.2418  0.6912  0.9064  1
  Cu  Cu4  1  0.5388  0.6987  0.4906  1
  Cu  Cu5  1  0.7576  0.3064  0.0947  1
  Mo  Mo6  1  0.0152  0.2930  0.6223  1
  Mo  Mo7  1  0.3044  0.3975  0.1609  1
  Mo  Mo8  1  0.4936  0.0080  0.2382  1
  Mo  Mo9  1  0.5037  0.9938  0.7542  1
  Mo  Mo10  1  0.6988  0.6025  0.8443  1
  Mo  Mo11  1  0.9872  0.7066  0.3812  1
  O  O12  1  0.0120  0.1245  0.7050  1
  O  O13  1  0.0431  0.2658  0.1383  1
  O  O14  1  0.1360  0.4852  0.7530  1
  O  O15  1  0.1425  0.2691  0.4850  1
  O  O16  1  0.2506  0.7121  0.4750  1
  O  O17  1  0.2567  0.5523  0.0754  1
  O  O18  1  0.2597  0.8837  0.7617  1
  O  O19  1  0.3330  0.8880  0.0649  1
  O  O20  1  0.3467  0.1476  0.3092  1
  O  O21  1  0.4462  0.4956  0.3487  1
  O  O22  1  0.4485  0.1277  0.6431  1
  O  O23  1  0.4634  0.2923  0.0826  1
  O  O24  1  0.5389  0.7093  0.9193  1
  O  O25  1  0.5506  0.8792  0.3512  1
  O  O26  1  0.5565  0.5065  0.6582  1
  O  O27  1  0.6484  0.8554  0.6808  1
  O  O28  1  0.6657  0.1082  0.9277  1
  O  O29  1  0.7397  0.1180  0.2309  1
  O  O30  1  0.7478  0.4482  0.9309  1
  O  O31  1  0.7545  0.2856  0.5266  1
  O  O32  1  0.8497  0.7274  0.5142  1
  O  O33  1  0.8656  0.5172  0.2487  1
  O  O34  1  0.9557  0.7375  0.8611  1
  O  O35  1  0.9902  0.8751  0.2989  1
]