data_Er16Al7S32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87
_cell_length_b   10.87
_cell_length_c   10.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er16Al7S32
_chemical_formula_sum   'Er16 Al7 S32'
_cell_volume   1283.53
_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
  Er  Er7  1  0.95  0.51  0.27  1.0
  Er  Er8  1  0.0  0.0  0.41  1.0
  Er  Er9  1  0.82  0.05  0.3  1.0
  Er  Er10  1  0.0  0.9  0.3  1.0
  Er  Er11  1  0.18  0.05  0.3  1.0
  Er  Er12  1  0.84  0.22  0.14  1.0
  Er  Er13  1  0.18  0.95  0.52  1.0
  Er  Er14  1  0.22  0.44  0.27  1.0
  Er  Er15  1  0.82  0.95  0.52  1.0
  Er  Er16  1  0.0  0.56  0.14  1.0
  Er  Er17  1  0.27  0.05  0.27  1.0
  Er  Er18  1  0.0  0.1  0.52  1.0
  Er  Er19  1  0.73  0.05  0.27  1.0
  Er  Er20  1  0.16  0.22  0.14  1.0
  Er  Er21  1  0.05  0.51  0.27  1.0
  Er  Er22  1  0.78  0.44  0.27  1.0
  Al  Al0  1  0.13  0.24  0.16  1.0
  Al  Al1  1  0.87  0.76  0.66  1.0
  Al  Al2  1  0.0  0.53  0.16  1.0
  Al  Al3  1  0.0  0.47  0.66  1.0
  Al  Al4  1  0.87  0.24  0.16  1.0
  Al  Al5  1  0.13  0.76  0.66  1.0
  Al  Al6  1  0.0  0.0  0.0  1.0
  S  S23  1  0.02  0.14  0.92  1.0
  S  S24  1  0.81  0.2  0.87  1.0
  S  S25  1  0.98  0.14  0.92  1.0
  S  S26  1  0.78  0.96  0.68  1.0
  S  S27  1  0.98  0.86  0.91  1.0
  S  S28  1  0.19  0.8  0.95  1.0
  S  S29  1  0.02  0.86  0.91  1.0
  S  S30  1  0.22  0.04  0.14  1.0
  S  S31  1  0.86  0.3  0.68  1.0
  S  S32  1  0.0  0.0  0.06  1.0
  S  S33  1  0.67  0.27  0.86  1.0
  S  S34  1  0.0  0.72  0.92  1.0
  S  S35  1  0.14  0.7  0.14  1.0
  S  S36  1  0.0  0.0  0.76  1.0
  S  S37  1  0.33  0.73  0.96  1.0
  S  S38  1  0.0  0.28  0.91  1.0
  S  S39  1  0.08  0.74  0.68  1.0
  S  S40  1  0.19  0.2  0.87  1.0
  S  S41  1  0.92  0.74  0.68  1.0
  S  S42  1  0.22  0.96  0.68  1.0
  S  S43  1  0.92  0.26  0.14  1.0
  S  S44  1  0.81  0.8  0.95  1.0
  S  S45  1  0.08  0.26  0.14  1.0
  S  S46  1  0.78  0.04  0.14  1.0
  S  S47  1  0.33  0.27  0.86  1.0
  S  S48  1  0.0  0.6  0.87  1.0
  S  S49  1  0.14  0.3  0.68  1.0
  S  S50  1  0.0  0.46  0.86  1.0
  S  S51  1  0.67  0.73  0.96  1.0
  S  S52  1  0.0  0.4  0.95  1.0
  S  S53  1  0.86  0.7  0.14  1.0
  S  S54  1  0.0  0.54  0.96  1.0

data_Er16Al7S32
_symmetry_space_group_name_H-M   Pm
_cell_length_a   10.87
_cell_length_b   10.87
_cell_length_c   10.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Er16Al7S32
_chemical_formula_sum   'Er16 Al7 S32'
_cell_volume   1283.53
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Er  Er0  2  0.05  0.18  0.3  1.0
  Er  Er1  2  0.05  0.27  0.27  1.0
  Er  Er2  2  0.22  0.16  0.14  1.0
  Er  Er3  2  0.44  0.22  0.27  1.0
  Er  Er4  2  0.51  0.05  0.27  1.0
  Er  Er5  2  0.95  0.18  0.52  1.0
  Er  Er6  1  0.0  0.0  0.41  1.0
  Er  Er7  1  0.1  0.0  0.52  1.0
  Er  Er8  1  0.56  0.0  0.14  1.0
  Er  Er9  1  0.9  0.0  0.3  1.0
  Al  Al10  2  0.24  0.13  0.16  1.0
  Al  Al11  2  0.76  0.13  0.66  1.0
  Al  Al12  1  0.0  0.0  0.0  1.0
  Al  Al13  1  0.47  0.0  0.66  1.0
  Al  Al14  1  0.53  0.0  0.16  1.0
  S  S15  2  0.04  0.22  0.14  1.0
  S  S16  2  0.14  0.02  0.92  1.0
  S  S17  2  0.2  0.19  0.87  1.0
  S  S18  2  0.26  0.08  0.14  1.0
  S  S19  2  0.27  0.33  0.86  1.0
  S  S20  2  0.3  0.14  0.68  1.0
  S  S21  2  0.7  0.14  0.14  1.0
  S  S22  2  0.73  0.33  0.96  1.0
  S  S23  2  0.74  0.08  0.68  1.0
  S  S24  2  0.8  0.19  0.95  1.0
  S  S25  2  0.86  0.02  0.91  1.0
  S  S26  2  0.96  0.22  0.68  1.0
  S  S27  1  0.0  0.0  0.06  1.0
  S  S28  1  0.0  0.0  0.76  1.0
  S  S29  1  0.28  0.0  0.91  1.0
  S  S30  1  0.4  0.0  0.95  1.0
  S  S31  1  0.46  0.0  0.86  1.0
  S  S32  1  0.54  0.0  0.96  1.0
  S  S33  1  0.6  0.0  0.87  1.0
  S  S34  1  0.72  0.0  0.92  1.0

Er Er Er Er Er Er Er Er Er Er Er Er Er Er Er Er Al Al Al Al Al Al Al S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S