data_[Cu32N4O44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.0323]
_cell_length_b [9.4321]
_cell_length_c [10.2396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Cu8NO11]
_chemical_formula_sum '[Cu32 N4 O44]'
_cell_volume [872.3515]
_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
[
  Cu  Cu0  8  0.0000  0.2479  0.2541  1.0
  Cu  Cu1  8  0.2500  0.0000  0.2527  1.0
  Cu  Cu2  8  0.2500  0.2500  0.0030  1.0
  Cu  Cu3  4  0.0000  0.0000  0.1155  1.0
  Cu  Cu4  4  0.0000  0.0000  0.8818  1.0
  N  N5  4  0.0000  0.0000  0.4913  1.0
  O  O6  16  0.1474  0.1435  0.8593  1.0
  O  O7  16  0.1481  0.1413  0.1447  1.0
  O  O8  8  0.0000  0.1172  0.5509  1.0
  O  O9  4  0.0000  0.0000  0.3664  1.0
]