data_La3BeAlS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.19
_cell_length_b   10.19
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3BeAlS7
_chemical_formula_sum   'La6 Be2 Al2 S14'
_cell_volume   535.04
_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  La4  1  0.42  0.45  0.45  1.0
  La  La5  1  0.4  0.6  0.45  1.0
  La  La6  1  0.18  0.6  0.45  1.0
  La  La7  1  0.92  0.23  0.43  1.0
  La  La8  1  0.7  0.22  0.43  1.0
  La  La9  1  0.67  0.38  0.43  1.0
  Be  Be2  1  0.1  0.94  0.91  1.0
  Be  Be3  1  0.0  0.88  0.89  1.0
  Al  Al0  1  0.0  0.0  0.15  1.0
  Al  Al1  1  0.0  0.0  0.12  1.0
  S  S10  1  0.71  0.99  0.16  1.0
  S  S11  1  0.97  0.58  0.16  1.0
  S  S12  1  0.6  0.25  0.16  1.0
  S  S13  1  0.0  0.88  0.05  1.0
  S  S14  1  0.37  0.68  0.66  1.0
  S  S15  1  0.5  0.24  0.66  1.0
  S  S16  1  0.42  0.91  0.66  1.0
  S  S17  1  0.49  0.58  0.13  1.0
  S  S18  1  0.12  0.24  0.13  1.0
  S  S19  1  0.38  0.83  0.13  1.0
  S  S20  1  0.1  0.94  0.02  1.0
  S  S21  1  0.68  0.92  0.64  1.0
  S  S22  1  0.6  0.59  0.64  1.0
  S  S23  1  0.73  0.15  0.64  1.0

data_La3BeAlS7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.95
_cell_length_b   10.19
_cell_length_c   10.19
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3BeAlS7
_chemical_formula_sum   'La6 Be2 Al2 S14'
_cell_volume   535.04
_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  0.43  0.67  0.38  1.0
  La  La1  1  0.43  0.7  0.22  1.0
  La  La2  1  0.43  0.92  0.23  1.0
  La  La3  1  0.45  0.18  0.6  1.0
  La  La4  1  0.45  0.4  0.6  1.0
  La  La5  1  0.45  0.42  0.45  1.0
  Be  Be6  1  0.89  -0.0  0.88  1.0
  Be  Be7  1  0.91  0.1  0.94  1.0
  Al  Al8  1  0.12  0.0  0.0  1.0
  Al  Al9  1  0.15  0.0  0.0  1.0
  S  S10  1  0.02  0.1  0.94  1.0
  S  S11  1  0.05  -0.0  0.88  1.0
  S  S12  1  0.13  0.12  0.24  1.0
  S  S13  1  0.13  0.38  0.83  1.0
  S  S14  1  0.13  0.49  0.58  1.0
  S  S15  1  0.16  0.6  0.25  1.0
  S  S16  1  0.16  0.71  0.99  1.0
  S  S17  1  0.16  0.97  0.58  1.0
  S  S18  1  0.64  0.6  0.59  1.0
  S  S19  1  0.64  0.68  0.92  1.0
  S  S20  1  0.64  0.73  0.15  1.0
  S  S21  1  0.66  0.37  0.68  1.0
  S  S22  1  0.66  0.42  0.91  1.0
  S  S23  1  0.66  0.5  0.24  1.0

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