data_Cu2SiPbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   15.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiPbS4
_chemical_formula_sum   'Cu6 Si3 Pb3 S12'
_cell_volume   484.77
_cell_formula_units_Z   3
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  0.79  1.0  0.17  1.0
  Cu  Cu1  1  0.76  0.26  0.9  1.0
  Cu  Cu2  1  0.73  0.47  0.23  1.0
  Cu  Cu3  1  0.54  0.47  0.97  1.0
  Cu  Cu4  1  0.57  0.79  0.3  1.0
  Cu  Cu5  1  0.7  0.79  0.03  1.0
  Si  Si21  1  0.85  0.47  0.0  1.0
  Si  Si22  1  0.81  0.79  0.07  1.0
  Si  Si23  1  0.38  0.0  0.13  1.0
  Pb  Pb6  1  0.22  0.0  0.53  1.0
  Pb  Pb7  1  0.43  0.47  0.6  1.0
  Pb  Pb8  1  0.39  0.79  0.67  1.0
  S  S9  1  0.78  0.21  0.03  1.0
  S  S10  1  0.61  0.53  0.7  1.0
  S  S11  1  0.58  0.72  0.37  1.0
  S  S12  1  0.75  0.05  0.03  1.0
  S  S13  1  0.69  0.51  0.1  1.0
  S  S14  1  0.42  0.59  0.76  1.0
  S  S15  1  0.03  0.12  0.44  1.0
  S  S16  1  0.6  0.72  0.1  1.0
  S  S17  1  0.63  0.54  0.17  1.0
  S  S18  1  0.07  0.13  0.83  1.0
  S  S19  1  0.39  0.66  0.5  1.0
  S  S20  1  0.65  0.74  0.17  1.0

data_Cu2SiPbS4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   15.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiPbS4
_chemical_formula_sum   'Cu6 Si3 Pb3 S12'
_cell_volume   484.77
_cell_formula_units_Z   3
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
  Si  Si0  1  0.38  0.0  0.13  1.0
  Cu  Cu1  1  0.54  0.47  0.97  1.0
  Cu  Cu2  1  0.57  0.79  0.3  1.0
  Cu  Cu3  1  0.7  0.79  0.03  1.0
  Cu  Cu4  1  0.73  0.47  0.23  1.0
  Cu  Cu5  1  0.76  0.26  0.9  1.0
  Cu  Cu6  1  0.79  1.0  0.17  1.0
  Si  Si7  1  0.81  0.79  0.07  1.0
  Si  Si8  1  0.85  0.47  -0.0  1.0
  Pb  Pb9  1  0.22  0.0  0.53  1.0
  Pb  Pb10  1  0.39  0.79  0.67  1.0
  Pb  Pb11  1  0.43  0.47  0.6  1.0
  S  S12  1  0.03  0.12  0.44  1.0
  S  S13  1  0.07  0.13  0.83  1.0
  S  S14  1  0.39  0.66  0.5  1.0
  S  S15  1  0.42  0.59  0.76  1.0
  S  S16  1  0.58  0.72  0.37  1.0
  S  S17  1  0.6  0.72  0.1  1.0
  S  S18  1  0.61  0.53  0.7  1.0
  S  S19  1  0.63  0.54  0.17  1.0
  S  S20  1  0.65  0.74  0.17  1.0
  S  S21  1  0.69  0.51  0.1  1.0
  S  S22  1  0.75  0.05  0.03  1.0
  S  S23  1  0.78  0.21  0.03  1.0

Cu Cu Cu Cu Cu Cu Si Si Si Pb Pb Pb S S S S S S S S S S S S