data_La3MnAlS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24
_cell_length_b   10.24
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3MnAlS7
_chemical_formula_sum   'La6 Mn2 Al2 S14'
_cell_volume   548.87
_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
  La  La2  1  0.49  0.32  0.4  1.0
  La  La3  1  0.5  0.76  0.4  1.0
  La  La4  1  0.01  0.65  0.4  1.0
  La  La5  1  0.11  0.21  0.42  1.0
  La  La6  1  0.62  0.1  0.42  1.0
  La  La7  1  0.63  0.55  0.42  1.0
  Mn  Mn8  1  0.0  0.0  0.0  1.0
  Mn  Mn9  1  0.0  0.0  0.03  1.0
  Al  Al0  1  0.12  0.95  0.92  1.0
  Al  Al1  1  0.0  0.91  0.94  1.0
  S  S10  1  0.78  0.9  0.02  1.0
  S  S11  1  0.06  0.68  0.02  1.0
  S  S12  1  0.51  0.28  0.02  1.0
  S  S13  1  0.0  0.91  0.12  1.0
  S  S14  1  0.28  0.77  0.62  1.0
  S  S15  1  0.65  0.31  0.62  1.0
  S  S16  1  0.43  0.78  0.62  1.0
  S  S17  1  0.61  0.59  0.05  1.0
  S  S18  1  0.05  0.18  0.05  1.0
  S  S19  1  0.34  0.96  0.05  1.0
  S  S20  1  0.12  0.95  0.15  1.0
  S  S21  1  0.69  0.08  0.64  1.0
  S  S22  1  0.47  0.56  0.64  1.0
  S  S23  1  0.84  0.09  0.64  1.0

data_La3MnAlS7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.05
_cell_length_b   10.24
_cell_length_c   10.24
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3MnAlS7
_chemical_formula_sum   'La6 Mn2 Al2 S14'
_cell_volume   548.87
_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
  La  La0  1  0.4  0.01  0.65  1.0
  La  La1  1  0.4  0.49  0.32  1.0
  La  La2  1  0.4  0.5  0.76  1.0
  La  La3  1  0.42  0.11  0.21  1.0
  La  La4  1  0.42  0.62  0.1  1.0
  La  La5  1  0.42  0.63  0.55  1.0
  Mn  Mn6  1  0.0  0.0  0.0  1.0
  Mn  Mn7  1  0.03  0.0  0.0  1.0
  Al  Al8  1  0.92  0.12  0.95  1.0
  Al  Al9  1  0.94  -0.0  0.91  1.0
  S  S10  1  0.02  0.06  0.68  1.0
  S  S11  1  0.02  0.51  0.28  1.0
  S  S12  1  0.02  0.78  0.9  1.0
  S  S13  1  0.05  0.05  0.18  1.0
  S  S14  1  0.05  0.34  0.96  1.0
  S  S15  1  0.05  0.61  0.59  1.0
  S  S16  1  0.12  -0.0  0.91  1.0
  S  S17  1  0.15  0.12  0.95  1.0
  S  S18  1  0.62  0.28  0.77  1.0
  S  S19  1  0.62  0.43  0.78  1.0
  S  S20  1  0.62  0.65  0.31  1.0
  S  S21  1  0.64  0.47  0.56  1.0
  S  S22  1  0.64  0.69  0.08  1.0
  S  S23  1  0.64  0.84  0.09  1.0

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