data_CuS2(N2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   10.01
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   124.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS2(N2O3)2
_chemical_formula_sum   'Cu2 S4 N8 O12'
_cell_volume   542.81
_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  1  0.22  0.01  0.01  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  S  S2  1  0.86  0.51  0.31  1.0
  S  S3  1  0.57  0.52  0.72  1.0
  S  S4  1  0.34  0.5  0.71  1.0
  S  S5  1  0.64  0.49  0.3  1.0
  N  N6  1  0.78  0.03  0.56  1.0
  N  N7  1  0.65  0.03  0.47  1.0
  N  N8  1  0.43  0.99  0.46  1.0
  N  N9  1  0.55  0.98  0.55  1.0
  N  N10  1  0.07  0.64  0.56  1.0
  N  N11  1  0.36  0.63  0.47  1.0
  N  N12  1  0.13  0.37  0.46  1.0
  N  N13  1  0.85  0.38  0.55  1.0
  O  O14  1  0.39  0.81  0.14  1.0
  O  O15  1  0.04  0.8  0.89  1.0
  O  O16  1  0.82  0.2  0.88  1.0
  O  O17  1  0.16  0.21  0.13  1.0
  O  O18  1  0.53  0.77  0.7  1.0
  O  O19  1  0.9  0.76  0.33  1.0
  O  O20  1  0.68  0.24  0.32  1.0
  O  O21  1  0.3  0.25  0.69  1.0
  O  O22  1  0.05  0.98  0.37  1.0
  O  O23  1  0.38  0.99  0.66  1.0
  O  O24  1  0.15  0.03  0.65  1.0
  O  O25  1  0.83  0.03  0.36  1.0

data_CuS2(N2O3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.76
_cell_length_b   8.11
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS2(N2O3)2
_chemical_formula_sum   'Cu2 S4 N8 O12'
_cell_volume   542.81
_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  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.79  0.01  0.01  1.0
  S  S2  1  0.16  0.72  0.52  1.0
  S  S3  1  0.37  0.71  0.5  1.0
  S  S4  1  0.45  0.31  0.51  1.0
  S  S5  1  0.66  0.3  0.49  1.0
  N  N6  1  0.03  0.46  0.99  1.0
  N  N7  1  0.11  0.47  0.63  1.0
  N  N8  1  0.33  0.46  0.37  1.0
  N  N9  1  0.49  0.56  0.64  1.0
  N  N10  1  0.7  0.55  0.38  1.0
  N  N11  1  0.78  0.56  0.03  1.0
  N  N12  1  0.82  0.47  0.03  1.0
  N  N13  1  0.99  0.55  0.98  1.0
  O  O14  1  0.06  0.88  0.2  1.0
  O  O15  1  0.17  0.7  0.77  1.0
  O  O16  1  0.28  0.66  0.99  1.0
  O  O17  1  0.32  0.37  0.98  1.0
  O  O18  1  0.39  0.69  0.25  1.0
  O  O19  1  0.43  0.33  0.76  1.0
  O  O20  1  0.5  0.65  0.03  1.0
  O  O21  1  0.53  0.36  0.03  1.0
  O  O22  1  0.64  0.32  0.24  1.0
  O  O23  1  0.75  0.14  0.81  1.0
  O  O24  1  0.85  0.89  0.8  1.0
  O  O25  1  0.97  0.13  0.21  1.0

Cu Cu S S S S N N N N N N N N O O O O O O O O O O O O