data_Cu4As3PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   7.24
_cell_length_c   11.14
_cell_angle_alpha   86.66
_cell_angle_beta   87.84
_cell_angle_gamma   87.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4As3PbO12
_chemical_formula_sum   'Cu8 As6 Pb2 O24'
_cell_volume   397.06
_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  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.65  0.7  0.78  1.0
  Cu  Cu8  1  0.66  0.06  0.2  1.0
  Cu  Cu9  1  0.73  0.64  0.61  1.0
  Cu  Cu10  1  0.34  0.93  0.56  1.0
  Cu  Cu11  1  0.89  0.22  0.51  1.0
  Cu  Cu12  1  0.96  0.81  0.91  1.0
  Cu  Cu13  1  0.97  0.17  0.33  1.0
  As  As0  1  0.27  0.51  0.05  1.0
  As  As1  1  0.2  0.41  0.49  1.0
  As  As2  1  0.66  0.87  0.16  1.0
  As  As3  1  0.96  1.0  0.96  1.0
  As  As4  1  0.42  0.46  0.63  1.0
  As  As5  1  0.35  0.36  0.06  1.0
  Pb  Pb38  1  0.58  0.08  0.54  1.0
  Pb  Pb39  1  0.04  0.79  0.57  1.0
  O  O14  1  0.86  0.67  0.84  1.0
  O  O15  1  0.87  0.81  0.04  1.0
  O  O16  1  0.6  0.95  0.83  1.0
  O  O17  1  0.97  0.49  0.67  1.0
  O  O18  1  0.35  0.67  0.92  1.0
  O  O19  1  0.96  0.86  0.51  1.0
  O  O20  1  0.71  0.92  0.5  1.0
  O  O21  1  0.41  0.39  0.63  1.0
  O  O22  1  0.34  0.9  0.07  1.0
  O  O23  1  0.82  0.36  0.58  1.0
  O  O24  1  0.8  0.71  0.15  1.0
  O  O25  1  0.35  0.97  0.59  1.0
  O  O26  1  0.27  0.89  0.53  1.0
  O  O27  1  0.81  0.16  0.97  1.0
  O  O28  1  0.8  0.51  0.54  1.0
  O  O29  1  0.28  0.97  0.04  1.0
  O  O30  1  0.21  0.48  0.48  1.0
  O  O31  1  0.91  0.94  0.61  1.0
  O  O32  1  0.66  0.01  0.6  1.0
  O  O33  1  0.27  0.2  0.19  1.0
  O  O34  1  0.65  0.37  0.44  1.0
  O  O35  1  0.02  0.92  0.28  1.0
  O  O36  1  0.74  0.06  0.07  1.0
  O  O37  1  0.76  0.2  0.28  1.0

data_Cu4As3PbO12
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   7.24
_cell_length_c   11.14
_cell_angle_alpha   86.66
_cell_angle_beta   87.84
_cell_angle_gamma   87.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4As3PbO12
_chemical_formula_sum   'Cu8 As6 Pb2 O24'
_cell_volume   397.06
_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  0.34  0.93  0.56  1.0
  Cu  Cu2  1  0.65  0.7  0.78  1.0
  Cu  Cu3  1  0.66  0.06  0.2  1.0
  Cu  Cu4  1  0.73  0.64  0.61  1.0
  Cu  Cu5  1  0.89  0.22  0.51  1.0
  Cu  Cu6  1  0.96  0.81  0.91  1.0
  Cu  Cu7  1  0.97  0.17  0.33  1.0
  As  As8  1  0.2  0.41  0.49  1.0
  As  As9  1  0.27  0.51  0.05  1.0
  As  As10  1  0.35  0.36  0.06  1.0
  As  As11  1  0.42  0.46  0.63  1.0
  As  As12  1  0.66  0.87  0.16  1.0
  As  As13  1  0.96  1.0  0.96  1.0
  Pb  Pb14  1  0.04  0.79  0.57  1.0
  Pb  Pb15  1  0.58  0.08  0.54  1.0
  O  O16  1  0.02  0.92  0.28  1.0
  O  O17  1  0.21  0.48  0.48  1.0
  O  O18  1  0.27  0.2  0.19  1.0
  O  O19  1  0.27  0.89  0.53  1.0
  O  O20  1  0.28  0.97  0.04  1.0
  O  O21  1  0.34  0.9  0.07  1.0
  O  O22  1  0.35  0.97  0.59  1.0
  O  O23  1  0.35  0.67  0.92  1.0
  O  O24  1  0.41  0.39  0.63  1.0
  O  O25  1  0.6  0.95  0.83  1.0
  O  O26  1  0.65  0.37  0.44  1.0
  O  O27  1  0.66  0.01  0.6  1.0
  O  O28  1  0.71  0.92  0.5  1.0
  O  O29  1  0.74  0.06  0.07  1.0
  O  O30  1  0.76  0.2  0.28  1.0
  O  O31  1  0.8  0.51  0.54  1.0
  O  O32  1  0.8  0.71  0.15  1.0
  O  O33  1  0.81  0.16  0.97  1.0
  O  O34  1  0.82  0.36  0.58  1.0
  O  O35  1  0.86  0.67  0.84  1.0
  O  O36  1  0.87  0.81  0.04  1.0
  O  O37  1  0.91  0.94  0.61  1.0
  O  O38  1  0.96  0.86  0.51  1.0
  O  O39  1  0.97  0.49  0.67  1.0

Cu Cu Cu Cu Cu Cu Cu Cu As As As As As As Pb Pb O O O O O O O O O O O O O O O O O O O O O O O O
Cu Cu Cu Cu Cu Cu Cu Cu As As As As As As Pb Pb O O O O O O O O O O O O O O O O O O O O O O O O 0 11 - - - 0 17 - - o 0 29 - o - 0 38 - o o 1 16 o o o 1 18 o o o 1 20 o o o 2 10 o - o 2 38 o o o 2 39 o o o 2 35 o o o 2 37 + - o 3 30 o o o 3 19 o o o 4 27 o o o 4 28 o o o 5 25 o o o 5 36 o o o 6 16 o o o 6 17 o o + 6 11 o o o 6 18 o o o 6 20 + o o 7 39 o o o 7 35 + o o 7 37 + - o 8 13 o o o 8 20 o o - 9 32 o o o 10 26 o o o 10 17 o o o 10 38 o + o 10 37 + o o 11 17 o o + 11 18 o o o 11 29 o + o 11 38 o + + 12 23 o o o 13 35 o o o 14 34 o o o 14 22 o - o 15 21 - o o 15 33 - o o 16 18 o o o 17 26 o o o 18 20 o o o 18 29 o + o 19 25 o o o 19 30 o o o 21 22 o o o 21 33 o o o 22 34 o + o 22 33 o o o 24 31 o o o 25 30 o o o 25 36 o o o 26 37 + o o 29 38 o o + 30 36 o o o 33 34 o + o 35 37 o - o 37 39 - + o 