data_Zn2Cu10Sb4S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   109.77
_cell_angle_beta   109.77
_cell_angle_gamma   108.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Cu10Sb4S13
_chemical_formula_sum   'Zn2 Cu10 Sb4 S13'
_cell_volume   568.56
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.0  0.0  0.14  1.0
  Zn  Zn1  1  0.0  0.0  0.38  1.0
  Cu  Cu2  1  0.63  0.0  0.26  1.0
  Cu  Cu3  1  0.2  0.56  0.0  1.0
  Cu  Cu4  1  0.0  0.2  0.63  1.0
  Cu  Cu5  1  0.0  0.63  0.26  1.0
  Cu  Cu6  1  0.56  0.2  0.0  1.0
  Cu  Cu7  1  0.2  0.0  0.63  1.0
  Cu  Cu8  1  0.07  0.0  0.0  1.0
  Cu  Cu9  1  0.0  0.07  0.0  1.0
  Cu  Cu10  1  0.33  0.0  0.0  1.0
  Cu  Cu11  1  0.0  0.33  0.0  1.0
  Sb  Sb12  1  0.4  0.4  0.49  1.0
  Sb  Sb13  1  0.8  0.8  0.23  1.0
  Sb  Sb14  1  0.6  0.4  0.03  1.0
  Sb  Sb15  1  0.4  0.6  0.03  1.0
  S  S16  1  0.0  0.0  0.0  1.0
  S  S17  1  0.98  0.98  0.37  1.0
  S  S18  1  0.4  0.02  0.04  1.0
  S  S19  1  0.02  0.4  0.04  1.0
  S  S20  1  0.22  0.22  0.63  1.0
  S  S21  1  0.6  0.38  0.04  1.0
  S  S22  1  0.38  0.6  0.04  1.0
  S  S23  1  0.22  0.78  0.89  1.0
  S  S24  1  0.8  0.82  0.21  1.0
  S  S25  1  0.18  0.6  0.21  1.0
  S  S26  1  0.78  0.22  0.89  1.0
  S  S27  1  0.6  0.18  0.21  1.0
  S  S28  1  0.82  0.8  0.21  1.0

data_Zn2Cu10Sb4S13
_symmetry_space_group_name_H-M   Cm
_cell_length_a   10.51
_cell_length_b   14.71
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   125.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2Cu10Sb4S13
_chemical_formula_sum   'Zn4 Cu20 Sb8 S26'
_cell_volume   1137.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.62  1.0
  Zn  Zn1  2  0.0  0.0  0.86  1.0
  Cu  Cu2  4  0.12  0.32  -0.0  1.0
  Cu  Cu3  4  0.18  0.18  0.74  1.0
  Cu  Cu4  4  0.34  0.34  -0.0  1.0
  Cu  Cu5  4  0.4  0.4  0.37  1.0
  Cu  Cu6  4  0.46  0.46  -0.0  1.0
  Sb  Sb7  4  0.0  0.4  0.97  1.0
  Sb  Sb8  2  0.1  0.5  0.51  1.0
  Sb  Sb9  2  0.2  0.0  0.77  1.0
  S  S10  4  0.0  0.22  0.11  1.0
  S  S11  4  0.01  0.39  0.96  1.0
  S  S12  4  0.11  0.29  0.79  1.0
  S  S13  4  0.19  0.01  0.79  1.0
  S  S14  4  0.29  0.31  0.96  1.0
  S  S15  2  0.0  0.0  0.0  1.0
  S  S16  2  0.02  0.0  0.63  1.0
  S  S17  2  0.28  0.5  0.37  1.0

Zn Zn Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Sb Sb Sb Sb S S S S S S S S S S S S S
Zn Zn Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Sb Sb Sb Sb S S S S S S S S S S S S S 0 16 o o o 1 17 - - o 1 4 o o o 1 7 o o o 1 20 o o o 2 27 o o o 3 22 o o o 3 15 o o o 3 25 o o o 4 17 - - o 4 20 o o o 5 25 o o o 6 21 o o o 6 14 o o o 6 27 o o o 7 17 - - o 7 20 o o o 8 16 o o o 9 16 o o o 10 18 o o o 10 23 o - - 11 19 o o o 11 26 - o - 12 20 o o o 13 24 o o o 13 28 o o o 14 21 o o o 15 22 o o o 17 20 + + o 18 23 o - - 18 27 o o o 19 25 o o o 19 26 - o - 