data_Pr3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.27
_cell_length_b   10.27
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3CuGeS7
_chemical_formula_sum   'Pr6 Cu2 Ge2 S14'
_cell_volume   538.04
_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
  Pr  Pr0  1  0.66  0.72  0.48  1.0
  Pr  Pr1  1  0.87  0.76  0.42  1.0
  Pr  Pr2  1  0.48  0.17  0.42  1.0
  Pr  Pr3  1  0.26  0.13  0.48  1.0
  Pr  Pr4  1  0.48  0.04  0.48  1.0
  Pr  Pr5  1  0.65  0.85  0.42  1.0
  Cu  Cu6  1  0.0  0.0  0.3  1.0
  Cu  Cu7  1  0.0  0.0  0.25  1.0
  Ge  Ge8  1  0.13  0.96  0.91  1.0
  Ge  Ge9  1  0.0  0.93  0.96  1.0
  S  S10  1  0.63  0.24  0.38  1.0
  S  S11  1  0.13  0.96  0.7  1.0
  S  S12  1  0.5  0.65  0.32  1.0
  S  S13  1  0.81  0.93  0.81  1.0
  S  S14  1  0.6  0.63  0.86  1.0
  S  S15  1  0.99  0.09  0.38  1.0
  S  S16  1  0.54  0.26  0.81  1.0
  S  S17  1  0.08  0.19  0.86  1.0
  S  S18  1  0.0  0.93  0.65  1.0
  S  S19  1  0.05  0.7  0.81  1.0
  S  S20  1  0.38  0.45  0.38  1.0
  S  S21  1  0.76  0.44  0.32  1.0
  S  S22  1  0.14  0.8  0.32  1.0
  S  S23  1  0.32  0.96  0.86  1.0

data_Pr3CuGeS7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.89
_cell_length_b   10.27
_cell_length_c   10.27
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3CuGeS7
_chemical_formula_sum   'Pr6 Cu2 Ge2 S14'
_cell_volume   538.04
_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
  Pr  Pr0  1  0.42  0.48  0.17  1.0
  Pr  Pr1  1  0.42  0.65  0.85  1.0
  Pr  Pr2  1  0.42  0.87  0.76  1.0
  Pr  Pr3  1  0.48  0.26  0.13  1.0
  Pr  Pr4  1  0.48  0.48  0.04  1.0
  Pr  Pr5  1  0.48  0.66  0.72  1.0
  Cu  Cu6  1  0.25  0.0  0.0  1.0
  Cu  Cu7  1  0.3  0.0  0.0  1.0
  Ge  Ge8  1  0.91  0.13  0.96  1.0
  Ge  Ge9  1  0.96  0.0  0.93  1.0
  S  S10  1  0.32  0.14  0.8  1.0
  S  S11  1  0.32  0.5  0.65  1.0
  S  S12  1  0.32  0.76  0.44  1.0
  S  S13  1  0.38  0.38  0.45  1.0
  S  S14  1  0.38  0.63  0.24  1.0
  S  S15  1  0.38  0.99  0.09  1.0
  S  S16  1  0.65  0.0  0.93  1.0
  S  S17  1  0.7  0.13  0.96  1.0
  S  S18  1  0.81  0.05  0.7  1.0
  S  S19  1  0.81  0.54  0.26  1.0
  S  S20  1  0.81  0.81  0.93  1.0
  S  S21  1  0.86  0.08  0.19  1.0
  S  S22  1  0.86  0.32  0.96  1.0
  S  S23  1  0.86  0.6  0.63  1.0

Pr Pr Pr Pr Pr Pr Cu Cu Ge Ge S S S S S S S S S S S S S S