data_Rb3Er7S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   12.15
_cell_length_c   25.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Er7S12
_chemical_formula_sum   'Rb6 Er14 S24'
_cell_volume   1214.39
_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
  Rb  Rb0  1  1.0  0.54  0.32  1.0
  Rb  Rb1  1  1.0  0.6  0.65  1.0
  Rb  Rb2  1  0.0  0.55  0.13  1.0
  Rb  Rb3  1  0.0  0.6  0.84  1.0
  Rb  Rb4  1  1.0  0.86  0.78  1.0
  Rb  Rb5  1  0.0  0.29  0.29  1.0
  Er  Er6  1  1.0  0.95  0.75  1.0
  Er  Er7  1  1.0  0.27  0.28  1.0
  Er  Er8  1  0.0  0.87  0.79  1.0
  Er  Er9  1  0.0  0.19  0.23  1.0
  Er  Er10  1  1.0  0.93  0.47  1.0
  Er  Er11  1  1.0  0.18  0.52  1.0
  Er  Er12  1  0.0  0.97  0.04  1.0
  Er  Er13  1  0.0  0.21  0.96  1.0
  Er  Er14  1  1.0  0.75  0.49  1.0
  Er  Er15  1  1.0  0.33  0.59  1.0
  Er  Er16  1  0.0  0.81  0.07  1.0
  Er  Er17  1  0.0  0.4  0.01  1.0
  Er  Er18  1  0.0  0.04  0.52  1.0
  Er  Er19  1  1.0  0.1  0.03  1.0
  S  S20  1  1.0  0.56  0.09  1.0
  S  S21  1  1.0  0.51  0.9  1.0
  S  S22  1  0.0  0.64  0.42  1.0
  S  S23  1  0.0  0.59  0.58  1.0
  S  S24  1  1.0  0.19  0.66  1.0
  S  S25  1  1.0  0.04  0.38  1.0
  S  S26  1  0.0  0.11  0.86  1.0
  S  S27  1  0.0  0.96  0.18  1.0
  S  S28  1  1.0  0.84  0.99  1.0
  S  S29  1  1.0  0.17  0.03  1.0
  S  S30  1  0.0  0.98  0.55  1.0
  S  S31  1  0.0  0.31  0.47  1.0
  S  S32  1  1.0  0.63  0.83  1.0
  S  S33  1  1.0  0.43  0.21  1.0
  S  S34  1  0.0  0.72  0.72  1.0
  S  S35  1  0.0  0.51  0.31  1.0
  S  S36  1  1.0  0.18  0.04  1.0
  S  S37  1  1.0  0.05  0.05  1.0
  S  S38  1  0.0  0.1  0.57  1.0
  S  S39  1  0.0  0.97  0.53  1.0
  S  S40  1  1.0  0.2  0.47  1.0
  S  S41  1  1.0  0.01  0.57  1.0
  S  S42  1  0.0  0.14  0.08  1.0
  S  S43  1  0.0  0.95  0.96  1.0

data_Rb3Er7S12
_symmetry_space_group_name_H-M   Pm
_cell_length_a   12.15
_cell_length_b   3.99
_cell_length_c   25.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Rb3Er7S12
_chemical_formula_sum   'Rb6 Er14 S24'
_cell_volume   1214.39
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.29  0.0  0.29  1.0
  Rb  Rb1  1  0.54  0.0  0.32  1.0
  Rb  Rb2  1  0.55  0.0  0.13  1.0
  Rb  Rb3  1  0.6  0.0  0.65  1.0
  Rb  Rb4  1  0.6  0.0  0.84  1.0
  Rb  Rb5  1  0.86  0.0  0.78  1.0
  Er  Er6  1  0.04  0.0  0.52  1.0
  Er  Er7  1  0.1  0.0  0.03  1.0
  Er  Er8  1  0.18  0.0  0.52  1.0
  Er  Er9  1  0.19  0.0  0.23  1.0
  Er  Er10  1  0.21  0.0  0.96  1.0
  Er  Er11  1  0.27  0.0  0.28  1.0
  Er  Er12  1  0.33  0.0  0.59  1.0
  Er  Er13  1  0.4  0.0  0.01  1.0
  Er  Er14  1  0.75  0.0  0.49  1.0
  Er  Er15  1  0.81  0.0  0.07  1.0
  Er  Er16  1  0.87  0.0  0.79  1.0
  Er  Er17  1  0.93  0.0  0.47  1.0
  Er  Er18  1  0.95  0.0  0.75  1.0
  Er  Er19  1  0.97  0.0  0.04  1.0
  S  S20  1  0.01  0.0  0.57  1.0
  S  S21  1  0.04  0.0  0.38  1.0
  S  S22  1  0.05  0.0  0.05  1.0
  S  S23  1  0.1  0.0  0.57  1.0
  S  S24  1  0.11  0.0  0.86  1.0
  S  S25  1  0.14  0.0  0.08  1.0
  S  S26  1  0.17  0.0  0.03  1.0
  S  S27  1  0.18  0.0  0.04  1.0
  S  S28  1  0.19  0.0  0.66  1.0
  S  S29  1  0.2  0.0  0.47  1.0
  S  S30  1  0.31  0.0  0.47  1.0
  S  S31  1  0.43  0.0  0.21  1.0
  S  S32  1  0.51  0.0  0.9  1.0
  S  S33  1  0.51  0.0  0.31  1.0
  S  S34  1  0.56  0.0  0.09  1.0
  S  S35  1  0.59  0.0  0.58  1.0
  S  S36  1  0.63  0.0  0.83  1.0
  S  S37  1  0.64  0.0  0.42  1.0
  S  S38  1  0.72  0.0  0.72  1.0
  S  S39  1  0.84  0.0  0.99  1.0
  S  S40  1  0.95  0.0  0.96  1.0
  S  S41  1  0.96  0.0  0.18  1.0
  S  S42  1  0.97  0.0  0.53  1.0
  S  S43  1  0.98  0.0  0.55  1.0

Rb Rb Rb Rb Rb Rb Er Er Er Er Er Er Er Er Er Er Er Er Er Er S S S S S S S S S S S S S S S S S S S S S S S S
Rb Rb Rb Rb Rb Rb Er Er Er Er Er Er Er Er Er Er Er Er Er Er S S S S S S S S S S S S S S S S S S S S S S S S 0 35 + o o 0 22 + o o 1 23 + o o 1 34 + o o 2 20 - o o 2 33 - o o 3 32 - o o 3 21 - o o 4 8 + o o 4 6 o o o 4 34 + o o 5 7 - o o 5 33 - o o 6 8 + o o 7 9 + o o 7 33 o o o 8 34 o o o 9 27 o - o 9 33 - o o 10 39 + o o 10 14 o o o 10 25 o + o 11 38 + o o 11 40 o o o 11 15 o o o 12 37 - + o 12 16 o o o 12 27 o o o 13 36 - o + 13 29 - o + 13 19 - o + 13 17 o o + 13 26 o o o 14 22 + o o 15 38 + o o 15 31 + o o 15 24 o o o 16 28 - o - 16 27 o o o 17 36 - o o 17 29 - o o 17 21 - o - 17 20 - o o 18 39 o - o 18 30 o - o 19 37 o o o 19 29 o o o 19 36 o o o 19 42 + o o 24 38 + o o 25 40 o o o 26 43 o - o 27 37 - + o 27 42 o + o 28 43 + o o 29 36 o o o 29 42 + o o 30 39 o o o 30 41 - + o 31 40 - o o 32 34 + o o 33 35 + o o 36 42 + o o 37 42 + o o 38 41 - o o 