data_Pr6Cd(GeS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.33
_cell_length_b   10.33
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6Cd(GeS7)2
_chemical_formula_sum   'Pr6 Cd1 Ge2 S14'
_cell_volume   540.26
_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
  Pr  Pr0  1  0.66  0.92  0.41  1.0
  Pr  Pr1  1  0.64  0.18  0.41  1.0
  Pr  Pr2  1  0.2  0.84  0.41  1.0
  Pr  Pr3  1  0.34  0.04  0.46  1.0
  Pr  Pr4  1  0.53  0.73  0.46  1.0
  Pr  Pr5  1  0.13  0.13  0.46  1.0
  Cd  Cd6  1  0.17  0.98  0.0  1.0
  Ge  Ge7  1  0.0  0.0  0.99  1.0
  Ge  Ge8  1  0.0  0.97  0.88  1.0
  S  S9  1  0.35  0.53  0.65  1.0
  S  S10  1  0.81  0.29  0.65  1.0
  S  S11  1  0.34  0.14  0.65  1.0
  S  S12  1  0.96  0.45  0.49  1.0
  S  S13  1  0.54  0.7  0.49  1.0
  S  S14  1  0.0  0.8  0.49  1.0
  S  S15  1  0.0  0.0  0.19  1.0
  S  S16  1  0.0  0.97  0.24  1.0
  S  S17  1  0.34  0.03  0.08  1.0
  S  S18  1  0.42  0.64  0.08  1.0
  S  S19  1  0.24  0.23  0.08  1.0
  S  S20  1  0.66  0.94  0.98  1.0
  S  S21  1  0.41  0.28  0.98  1.0
  S  S22  1  0.93  0.68  0.98  1.0

data_Pr6Cd(GeS7)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.84
_cell_length_b   10.33
_cell_length_c   10.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6Cd(GeS7)2
_chemical_formula_sum   'Pr6 Cd1 Ge2 S14'
_cell_volume   540.26
_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
  Pr  Pr0  1  0.41  0.2  0.84  1.0
  Pr  Pr1  1  0.41  0.64  0.18  1.0
  Pr  Pr2  1  0.41  0.66  0.92  1.0
  Pr  Pr3  1  0.46  0.13  0.13  1.0
  Pr  Pr4  1  0.46  0.34  0.04  1.0
  Pr  Pr5  1  0.46  0.53  0.73  1.0
  Cd  Cd6  1  0.0  0.17  0.98  1.0
  Ge  Ge7  1  0.88  0.0  0.97  1.0
  Ge  Ge8  1  0.99  0.0  0.0  1.0
  S  S9  1  0.08  0.24  0.23  1.0
  S  S10  1  0.08  0.34  0.03  1.0
  S  S11  1  0.08  0.42  0.64  1.0
  S  S12  1  0.19  0.0  0.0  1.0
  S  S13  1  0.24  0.0  0.97  1.0
  S  S14  1  0.49  0.0  0.8  1.0
  S  S15  1  0.49  0.54  0.7  1.0
  S  S16  1  0.49  0.96  0.45  1.0
  S  S17  1  0.65  0.34  0.14  1.0
  S  S18  1  0.65  0.35  0.53  1.0
  S  S19  1  0.65  0.81  0.29  1.0
  S  S20  1  0.98  0.41  0.28  1.0
  S  S21  1  0.98  0.66  0.94  1.0
  S  S22  1  0.98  0.93  0.68  1.0

Pr Pr Pr Pr Pr Pr Cd Ge Ge S S S S S S S S S S S S S S
Pr Pr Pr Pr Pr Pr Cd Ge Ge S S S S S S S S S S S S S S 0 13 o o o 0 4 o o o 0 20 o o o 0 20 o o - 1 10 o o o 2 14 o o o 2 3 o + o 3 11 o o o 4 13 o o o 4 9 o o o 4 18 o o o 4 20 o o - 5 15 o o o 5 16 o - o 5 11 o o o 6 8 o o - 6 7 o + - 6 17 o + o 6 22 - o - 7 8 o - o 7 20 - - o 7 22 - - o 8 22 - o o 9 13 o o o 9 18 o o + 10 12 o o o 13 18 o o o 14 16 o o o 14 22 - o o 14 22 - o - 15 16 o - o 15 22 - - - 16 22 - o - 18 20 o o - 19 21 o o - 