data_VCu12As3S16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.58
_cell_length_b   10.58
_cell_length_c   10.58
_cell_angle_alpha   90.08
_cell_angle_beta   90.08
_cell_angle_gamma   90.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu12As3S16
_chemical_formula_sum   'V2 Cu24 As6 S32'
_cell_volume   1185.71
_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
  V  V0  1  0.0  0.0  0.15  1.0
  V  V1  1  0.0  0.0  0.3  1.0
  Cu  Cu2  1  0.93  0.88  0.56  1.0
  Cu  Cu3  1  1.0  0.78  0.73  1.0
  Cu  Cu4  1  0.07  0.89  0.56  1.0
  Cu  Cu5  1  0.0  0.23  0.56  1.0
  Cu  Cu6  1  0.92  0.11  0.73  1.0
  Cu  Cu7  1  0.08  0.11  0.73  1.0
  Cu  Cu8  1  1.0  0.23  0.72  1.0
  Cu  Cu9  1  0.08  0.11  0.57  1.0
  Cu  Cu10  1  0.07  0.88  0.72  1.0
  Cu  Cu11  1  0.93  0.89  0.72  1.0
  Cu  Cu12  1  0.92  0.11  0.57  1.0
  Cu  Cu13  1  0.0  0.78  0.57  1.0
  Cu  Cu14  1  0.13  0.78  0.59  1.0
  Cu  Cu15  1  0.27  0.99  0.74  1.0
  Cu  Cu16  1  0.14  0.24  0.59  1.0
  Cu  Cu17  1  0.73  0.99  0.59  1.0
  Cu  Cu18  1  0.87  0.78  0.74  1.0
  Cu  Cu19  1  0.86  0.24  0.74  1.0
  Cu  Cu20  1  0.0  0.67  0.62  1.0
  Cu  Cu21  1  0.75  0.17  0.62  1.0
  Cu  Cu22  1  0.25  0.17  0.62  1.0
  Cu  Cu23  1  0.74  0.84  0.67  1.0
  Cu  Cu24  1  0.26  0.84  0.67  1.0
  Cu  Cu25  1  1.0  0.31  0.67  1.0
  As  As26  1  0.83  0.24  0.6  1.0
  As  As27  1  0.72  0.97  0.75  1.0
  As  As28  1  0.89  0.8  0.6  1.0
  As  As29  1  0.28  0.97  0.6  1.0
  As  As30  1  0.17  0.24  0.75  1.0
  As  As31  1  0.11  0.8  0.75  1.0
  S  S32  1  0.87  0.64  0.41  1.0
  S  S33  1  0.14  0.64  0.4  1.0
  S  S34  1  0.01  0.73  0.36  1.0
  S  S35  1  0.7  0.14  0.36  1.0
  S  S36  1  0.71  0.3  0.41  1.0
  S  S37  1  0.57  0.07  0.4  1.0
  S  S38  1  0.29  0.29  0.4  1.0
  S  S39  1  0.3  0.13  0.36  1.0
  S  S40  1  0.43  0.06  0.41  1.0
  S  S41  1  0.17  0.9  0.43  1.0
  S  S42  1  0.87  0.96  0.43  1.0
  S  S43  1  0.97  0.14  0.43  1.0
  S  S44  1  0.78  0.97  0.46  1.0
  S  S45  1  0.92  0.75  0.46  1.0
  S  S46  1  0.79  0.82  0.41  1.0
  S  S47  1  0.22  0.81  0.41  1.0
  S  S48  1  0.08  0.74  0.46  1.0
  S  S49  1  0.22  0.97  0.46  1.0
  S  S50  1  0.86  0.29  0.46  1.0
  S  S51  1  0.99  0.37  0.41  1.0
  S  S52  1  0.13  0.29  0.46  1.0
  S  S53  1  0.13  0.96  0.28  1.0
  S  S54  1  0.03  0.14  0.28  1.0
  S  S55  1  0.83  0.9  0.28  1.0
  S  S56  1  1.0  0.91  0.41  1.0
  S  S57  1  0.82  0.05  0.41  1.0
  S  S58  1  0.19  0.05  0.41  1.0
  S  S59  1  0.0  0.0  0.35  1.0
  S  S60  1  0.67  0.72  0.46  1.0
  S  S61  1  0.32  0.73  0.46  1.0
  S  S62  1  0.0  0.55  0.46  1.0
  S  S63  1  0.0  0.0  0.2  1.0

data_VCu12As3S16
_symmetry_space_group_name_H-M   P1
_cell_length_a   10.58
_cell_length_b   10.58
_cell_length_c   10.58
_cell_angle_alpha   90.08
_cell_angle_beta   90.08
_cell_angle_gamma   90.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu12As3S16
_chemical_formula_sum   'V2 Cu24 As6 S32'
_cell_volume   1185.71
_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
  V  V0  1  0.0  0.0  0.15  1.0
  V  V1  1  0.0  0.0  0.3  1.0
  Cu  Cu2  1  0.0  0.67  0.62  1.0
  Cu  Cu3  1  0.0  0.78  0.57  1.0
  Cu  Cu4  1  0.0  0.23  0.56  1.0
  Cu  Cu5  1  0.07  0.89  0.56  1.0
  Cu  Cu6  1  0.07  0.88  0.72  1.0
  Cu  Cu7  1  0.08  0.11  0.57  1.0
  Cu  Cu8  1  0.08  0.11  0.73  1.0
  Cu  Cu9  1  0.13  0.78  0.59  1.0
  Cu  Cu10  1  0.14  0.24  0.59  1.0
  Cu  Cu11  1  0.25  0.17  0.62  1.0
  Cu  Cu12  1  0.26  0.84  0.67  1.0
  Cu  Cu13  1  0.27  0.99  0.74  1.0
  Cu  Cu14  1  0.73  0.99  0.59  1.0
  Cu  Cu15  1  0.74  0.84  0.67  1.0
  Cu  Cu16  1  0.75  0.17  0.62  1.0
  Cu  Cu17  1  0.86  0.24  0.74  1.0
  Cu  Cu18  1  0.87  0.78  0.74  1.0
  Cu  Cu19  1  0.92  0.11  0.57  1.0
  Cu  Cu20  1  0.92  0.11  0.73  1.0
  Cu  Cu21  1  0.93  0.88  0.56  1.0
  Cu  Cu22  1  0.93  0.89  0.72  1.0
  Cu  Cu23  1  1.0  0.23  0.72  1.0
  Cu  Cu24  1  1.0  0.78  0.73  1.0
  Cu  Cu25  1  1.0  0.31  0.67  1.0
  As  As26  1  0.11  0.8  0.75  1.0
  As  As27  1  0.17  0.24  0.75  1.0
  As  As28  1  0.28  0.97  0.6  1.0
  As  As29  1  0.72  0.97  0.75  1.0
  As  As30  1  0.83  0.24  0.6  1.0
  As  As31  1  0.89  0.8  0.6  1.0
  S  S32  1  0.0  0.0  0.2  1.0
  S  S33  1  0.0  0.0  0.35  1.0
  S  S34  1  0.0  0.55  0.46  1.0
  S  S35  1  0.01  0.73  0.36  1.0
  S  S36  1  0.03  0.14  0.28  1.0
  S  S37  1  0.08  0.74  0.46  1.0
  S  S38  1  0.13  0.96  0.28  1.0
  S  S39  1  0.13  0.29  0.46  1.0
  S  S40  1  0.14  0.64  0.4  1.0
  S  S41  1  0.17  0.9  0.43  1.0
  S  S42  1  0.19  0.05  0.41  1.0
  S  S43  1  0.22  0.81  0.41  1.0
  S  S44  1  0.22  0.97  0.46  1.0
  S  S45  1  0.29  0.29  0.4  1.0
  S  S46  1  0.3  0.13  0.36  1.0
  S  S47  1  0.32  0.73  0.46  1.0
  S  S48  1  0.43  0.06  0.41  1.0
  S  S49  1  0.57  0.07  0.4  1.0
  S  S50  1  0.67  0.72  0.46  1.0
  S  S51  1  0.7  0.14  0.36  1.0
  S  S52  1  0.71  0.3  0.41  1.0
  S  S53  1  0.78  0.97  0.46  1.0
  S  S54  1  0.79  0.82  0.41  1.0
  S  S55  1  0.82  0.05  0.41  1.0
  S  S56  1  0.83  0.9  0.28  1.0
  S  S57  1  0.86  0.29  0.46  1.0
  S  S58  1  0.87  0.64  0.41  1.0
  S  S59  1  0.87  0.96  0.43  1.0
  S  S60  1  0.92  0.75  0.46  1.0
  S  S61  1  0.97  0.14  0.43  1.0
  S  S62  1  0.99  0.37  0.41  1.0
  S  S63  1  1.0  0.91  0.41  1.0

V V Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu As As As As As As S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S