data_[Cu4N2O12]
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 [P2_1]
_cell_length_a [5.3694]
_cell_length_b [5.8710]
_cell_length_c [7.1200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Cu2NO6]
_chemical_formula_sum '[Cu4 N2 O12]'
_cell_volume [223.8150]
_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
[
  Cu  Cu0  2  0.0004  0.7673  0.0025  1.0
  Cu  Cu1  2  0.4944  0.5165  0.0015  1.0
  N  N2  2  0.2372  0.9981  0.4185  1.0
  O  O3  2  0.0864  0.8803  0.4985  1.0
  O  O4  2  0.1120  0.5151  0.1299  1.0
  O  O5  2  0.2152  0.0047  0.2355  1.0
  O  O6  2  0.3101  0.7713  0.8974  1.0
  O  O7  2  0.3112  0.2605  0.8972  1.0
  O  O8  2  0.4065  0.1091  0.5030  1.0
]