data_Y3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89
_cell_length_b   9.89
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3CuGeS7
_chemical_formula_sum   'Y6 Cu2 Ge2 S14'
_cell_volume   493.69
_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
  Y  Y0  1  0.5  0.5  0.46  1.0
  Y  Y1  1  0.07  0.42  0.38  1.0
  Y  Y2  1  0.48  0.65  0.38  1.0
  Y  Y3  1  0.46  0.92  0.46  1.0
  Y  Y4  1  0.44  0.06  0.38  1.0
  Y  Y5  1  0.87  0.15  0.46  1.0
  Cu  Cu6  1  0.0  0.0  0.04  1.0
  Cu  Cu7  1  0.0  0.0  0.12  1.0
  Ge  Ge8  1  0.0  0.71  0.94  1.0
  Ge  Ge9  1  0.95  0.86  0.85  1.0
  S  S10  1  0.23  0.84  0.79  1.0
  S  S11  1  0.89  0.95  0.88  1.0
  S  S12  1  0.3  0.22  0.25  1.0
  S  S13  1  0.65  0.35  0.17  1.0
  S  S14  1  0.06  0.62  0.79  1.0
  S  S15  1  0.95  0.86  0.64  1.0
  S  S16  1  0.12  0.37  0.17  1.0
  S  S17  1  0.0  0.71  0.56  1.0
  S  S18  1  0.4  0.46  0.88  1.0
  S  S19  1  0.83  0.2  0.25  1.0
  S  S20  1  0.07  0.85  0.17  1.0
  S  S21  1  0.55  0.11  0.79  1.0
  S  S22  1  0.88  0.71  0.25  1.0
  S  S23  1  0.71  0.73  0.88  1.0

data_Y3CuGeS7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   9.89
_cell_length_c   9.89
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3CuGeS7
_chemical_formula_sum   'Y6 Cu2 Ge2 S14'
_cell_volume   493.69
_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
  Y  Y0  1  0.38  0.07  0.42  1.0
  Y  Y1  1  0.38  0.44  0.06  1.0
  Y  Y2  1  0.38  0.48  0.65  1.0
  Y  Y3  1  0.46  0.46  0.92  1.0
  Y  Y4  1  0.46  0.5  0.5  1.0
  Y  Y5  1  0.46  0.87  0.15  1.0
  Cu  Cu6  1  0.04  0.0  0.0  1.0
  Cu  Cu7  1  0.12  0.0  0.0  1.0
  Ge  Ge8  1  0.85  0.95  0.86  1.0
  Ge  Ge9  1  0.94  0.0  0.71  1.0
  S  S10  1  0.17  0.07  0.85  1.0
  S  S11  1  0.17  0.12  0.37  1.0
  S  S12  1  0.17  0.65  0.35  1.0
  S  S13  1  0.25  0.3  0.22  1.0
  S  S14  1  0.25  0.83  0.2  1.0
  S  S15  1  0.25  0.88  0.71  1.0
  S  S16  1  0.56  0.0  0.71  1.0
  S  S17  1  0.64  0.95  0.86  1.0
  S  S18  1  0.79  0.06  0.62  1.0
  S  S19  1  0.79  0.23  0.84  1.0
  S  S20  1  0.79  0.55  0.11  1.0
  S  S21  1  0.88  0.4  0.46  1.0
  S  S22  1  0.88  0.71  0.73  1.0
  S  S23  1  0.88  0.89  0.95  1.0

Y Y Y Y Y Y Cu Cu Ge Ge S S S S S S S S S S S S S S