data_[Zn4Cu4P8O28]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9909]
_cell_length_b [8.2938]
_cell_length_c [9.3401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnCuP2O7]
_chemical_formula_sum '[Zn4 Cu4 P8 O28]'
_cell_volume [510.3295]
_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
[
  Zn  Zn0  4  0.3111  0.5599  0.6858  1
  Cu  Cu1  4  0.2344  0.5681  0.1098  1
  P  P2  4  0.0705  0.2334  0.7457  1
  P  P3  4  0.4628  0.2317  0.0265  1
  O  O4  4  0.0466  0.0908  0.6357  1
  O  O5  4  0.1153  0.1090  0.1849  1
  O  O6  4  0.1193  0.7417  0.7037  1
  O  O7  4  0.2531  0.1868  0.8989  1
  O  O8  4  0.3746  0.7448  0.5530  1
  O  O9  4  0.4469  0.1061  0.6036  1
  O  O10  4  0.4959  0.5919  0.3628  1
]