data_[Cu2S4N4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8233]
_cell_length_b [11.2273]
_cell_length_c [8.8054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuS2(NO7)2]
_chemical_formula_sum '[Cu2 S4 N4 O28]'
_cell_volume [674.3353]
_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  0.0000  0.0000  0.0000  1
  S  S1  4  0.2370  0.1076  0.4428  1
  N  N2  4  0.2216  0.6534  0.6838  1
  O  O3  4  0.0302  0.1297  0.4243  1
  O  O4  4  0.0463  0.6068  0.6588  1
  O  O5  4  0.2420  0.7231  0.7876  1
  O  O6  4  0.3173  0.0617  0.9866  1
  O  O7  4  0.3244  0.0973  0.5920  1
  O  O8  4  0.3542  0.0928  0.3112  1
  O  O9  4  0.3724  0.1552  0.9265  1
]