data_Y3AlCoS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58
_cell_length_b   9.58
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3AlCoS7
_chemical_formula_sum   'Y6 Al2 Co2 S14'
_cell_volume   488.7
_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  0.66  0.1  0.46  1.0
  Y  Y1  1  0.07  0.04  0.46  1.0
  Y  Y2  1  0.27  0.45  0.46  1.0
  Y  Y3  1  0.13  0.19  0.38  1.0
  Y  Y4  1  0.72  0.25  0.38  1.0
  Y  Y5  1  0.52  0.85  0.38  1.0
  Al  Al6  1  0.0  0.53  0.92  1.0
  Al  Al7  1  0.79  0.77  0.99  1.0
  Co  Co8  1  0.0  0.0  0.49  1.0
  Co  Co9  1  0.0  0.0  0.42  1.0
  S  S10  1  0.84  0.85  0.99  1.0
  S  S11  1  0.89  0.52  0.99  1.0
  S  S12  1  0.27  0.23  0.99  1.0
  S  S13  1  0.96  0.45  0.06  1.0
  S  S14  1  0.9  0.78  0.06  1.0
  S  S15  1  0.52  0.07  0.06  1.0
  S  S16  1  0.62  0.3  0.12  1.0
  S  S17  1  0.12  0.74  0.12  1.0
  S  S18  1  0.26  0.55  0.12  1.0
  S  S19  1  0.17  0.0  0.05  1.0
  S  S20  1  0.67  0.55  0.05  1.0
  S  S21  1  0.53  0.74  0.05  1.0
  S  S22  1  0.0  0.53  0.16  1.0
  S  S23  1  0.79  0.77  0.09  1.0

data_Y3AlCoS7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.15
_cell_length_b   9.58
_cell_length_c   9.58
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3AlCoS7
_chemical_formula_sum   'Y6 Al2 Co2 S14'
_cell_volume   488.7
_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  0.13  0.19  1.0
  Y  Y1  1  0.38  0.52  0.85  1.0
  Y  Y2  1  0.38  0.72  0.25  1.0
  Y  Y3  1  0.46  0.07  0.04  1.0
  Y  Y4  1  0.46  0.27  0.45  1.0
  Y  Y5  1  0.46  0.66  0.1  1.0
  Al  Al6  1  0.92  0.0  0.53  1.0
  Al  Al7  1  0.99  0.79  0.77  1.0
  Co  Co8  1  0.42  0.0  0.0  1.0
  Co  Co9  1  0.49  0.0  0.0  1.0
  S  S10  1  0.05  0.17  0.0  1.0
  S  S11  1  0.05  0.53  0.74  1.0
  S  S12  1  0.05  0.67  0.55  1.0
  S  S13  1  0.06  0.52  0.07  1.0
  S  S14  1  0.06  0.9  0.78  1.0
  S  S15  1  0.06  0.96  0.45  1.0
  S  S16  1  0.09  0.79  0.77  1.0
  S  S17  1  0.12  0.12  0.74  1.0
  S  S18  1  0.12  0.26  0.55  1.0
  S  S19  1  0.12  0.62  0.3  1.0
  S  S20  1  0.16  0.0  0.53  1.0
  S  S21  1  0.99  0.27  0.23  1.0
  S  S22  1  0.99  0.84  0.85  1.0
  S  S23  1  0.99  0.89  0.52  1.0

Y Y Y Y Y Y Al Al Co Co S S S S S S S S S S S S S S
Y Y Y Y Y Y Al Al Co Co S S S S S S S S S S S S S S 0 4 o o o 0 5 o - o 1 9 o o o 1 8 o o o 1 3 o o o 2 3 o o o 2 18 o o o 4 16 o o o 5 21 o o o 6 13 - o + 6 11 - o o 6 17 o o + 6 18 o o + 7 10 o o o 7 23 o o + 7 14 o o + 7 20 o o + 7 21 o o + 8 9 o o o 10 14 o o + 10 21 o o + 11 13 o o + 11 17 + o + 12 19 o o + 13 22 + o o 13 18 + o o 14 23 o o o 14 17 + o o 14 19 + + o 15 16 o o o 16 20 o o o 17 22 o o o 17 19 o + o 17 18 o o o 18 22 o o o 18 21 o o o 20 23 o o o 20 21 o o o 21 23 o o o 