data_[Cu12C8N40Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.6634]
_cell_length_b [9.1288]
_cell_length_c [10.0809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu3C2N10ClO4]
_chemical_formula_sum '[Cu12 C8 N40 Cl4 O16]'
_cell_volume [965.7104]
_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  4  0.0660  0.1000  0.4147  1
  Cu  Cu1  4  0.1619  0.7393  0.3398  1
  Cu  Cu2  4  0.3800  0.5778  0.0909  1
  C  C3  4  0.1202  0.0724  0.9356  1
  C  C4  4  0.4902  0.1808  0.7478  1
  N  N5  4  0.0135  0.0019  0.2311  1
  N  N6  4  0.0304  0.6411  0.7169  1
  N  N7  4  0.0533  0.1906  0.8880  1
  N  N8  4  0.0823  0.5482  0.3641  1
  N  N9  4  0.2196  0.0772  0.0513  1
  N  N10  4  0.3406  0.7303  0.8236  1
  N  N11  4  0.3910  0.1778  0.8242  1
  N  N12  4  0.4025  0.6239  0.9005  1
  N  N13  4  0.4082  0.7309  0.2297  1
  N  N14  4  0.4915  0.0902  0.6444  1
  Cl  Cl15  4  0.1571  0.5899  0.0327  1
  O  O16  4  0.2303  0.1927  0.1173  1
  O  O17  4  0.2867  0.5340  0.5767  1
  O  O18  4  0.3171  0.0713  0.8042  1
  O  O19  4  0.3835  0.2206  0.4044  1
]