data_Sr2LaCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   15.49
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaCl7
_chemical_formula_sum   'Sr8 La4 Cl28'
_cell_volume   1113.99
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.79  0.77  0.04  1.0
  Sr  Sr1  1  0.83  0.06  0.76  1.0
  Sr  Sr2  1  0.88  0.97  0.83  1.0
  Sr  Sr3  1  0.91  0.17  0.55  1.0
  Sr  Sr4  1  0.83  0.32  0.87  1.0
  Sr  Sr5  1  0.86  0.52  0.59  1.0
  Sr  Sr6  1  0.91  0.43  0.66  1.0
  Sr  Sr7  1  0.94  0.71  0.38  1.0
  La  La8  1  0.39  0.96  0.47  1.0
  La  La9  1  0.47  0.78  0.26  1.0
  La  La10  1  0.27  0.71  0.16  1.0
  La  La11  1  0.35  0.52  0.95  1.0
  Cl  Cl12  1  0.91  0.09  0.25  1.0
  Cl  Cl13  1  0.95  0.33  0.85  1.0
  Cl  Cl14  1  1.0  0.14  0.04  1.0
  Cl  Cl15  1  0.03  0.9  0.64  1.0
  Cl  Cl16  1  0.93  0.86  0.14  1.0
  Cl  Cl17  1  0.01  0.38  0.93  1.0
  Cl  Cl18  1  0.89  0.5  0.94  1.0
  Cl  Cl19  1  0.98  0.24  0.73  1.0
  Cl  Cl20  1  0.05  0.75  0.39  1.0
  Cl  Cl21  1  0.13  0.48  0.18  1.0
  Cl  Cl22  1  0.3  0.6  0.65  1.0
  Cl  Cl23  1  0.36  0.04  0.2  1.0
  Cl  Cl24  1  0.38  0.15  0.44  1.0
  Cl  Cl25  1  0.44  0.7  0.99  1.0
  Cl  Cl26  1  0.3  0.79  0.42  1.0
  Cl  Cl27  1  0.36  0.34  0.98  1.0
  Cl  Cl28  1  0.38  0.45  0.21  1.0
  Cl  Cl29  1  0.44  0.89  0.77  1.0
  Cl  Cl30  1  0.61  0.01  0.24  1.0
  Cl  Cl31  1  0.69  0.74  0.03  1.0
  Cl  Cl32  1  0.76  0.24  0.69  1.0
  Cl  Cl33  1  0.84  0.99  0.48  1.0
  Cl  Cl34  1  0.73  0.11  0.49  1.0
  Cl  Cl35  1  0.81  0.63  0.28  1.0
  Cl  Cl36  1  0.71  0.58  0.78  1.0
  Cl  Cl37  1  0.74  0.35  0.38  1.0
  Cl  Cl38  1  0.79  0.16  0.57  1.0
  Cl  Cl39  1  0.82  0.4  0.17  1.0

data_Sr2LaCl7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.9
_cell_length_b   10.42
_cell_length_c   15.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.91
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sr2LaCl7
_chemical_formula_sum   'Sr8 La4 Cl28'
_cell_volume   1113.99
_cell_formula_units_Z   4
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
  Sr  Sr0  2  0.01  0.12  0.23  1.0
  Sr  Sr1  2  0.04  0.95  0.68  1.0
  Sr  Sr2  2  0.04  0.84  0.43  1.0
  Sr  Sr3  2  0.08  0.67  0.97  1.0
  La  La4  2  0.4  0.45  0.96  1.0
  La  La5  2  0.48  0.24  0.78  1.0
  Cl  Cl6  2  0.03  0.23  0.76  1.0
  Cl  Cl7  2  0.04  0.54  0.35  1.0
  Cl  Cl8  2  0.06  0.43  0.11  1.0
  Cl  Cl9  2  0.08  0.14  0.58  1.0
  Cl  Cl10  2  0.11  0.02  0.5  1.0
  Cl  Cl11  2  0.13  0.33  0.4  1.0
  Cl  Cl12  2  0.14  0.22  0.63  1.0
  Cl  Cl13  2  0.16  0.93  0.16  1.0
  Cl  Cl14  2  0.18  0.68  0.01  1.0
  Cl  Cl15  2  0.26  0.47  0.74  1.0
  Cl  Cl16  2  0.43  0.71  0.04  1.0
  Cl  Cl17  2  0.43  0.94  0.85  1.0
  Cl  Cl18  2  0.49  0.27  0.6  1.0
  Cl  Cl19  2  0.49  0.49  0.3  1.0

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