data_La5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59
_cell_length_b   9.59
_cell_length_c   9.59
_cell_angle_alpha   96.24
_cell_angle_beta   96.24
_cell_angle_gamma   141.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Sn3
_chemical_formula_sum   'La10 Sn6'
_cell_volume   517.59
_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  0.61  0.3  0.16  1.0
  La  La1  1  0.1  0.79  0.16  1.0
  La  La2  1  0.61  0.5  0.0  1.0
  La  La3  1  0.3  0.39  0.16  1.0
  La  La4  1  0.4  0.0  0.58  1.0
  La  La5  1  0.0  0.4  0.58  1.0
  La  La6  1  0.1  0.01  0.0  1.0
  La  La7  1  0.79  0.9  0.16  1.0
  La  La8  1  0.3  0.61  0.0  1.0
  La  La9  1  0.79  0.1  0.0  1.0
  Sn  Sn10  1  0.05  0.35  0.0  1.0
  Sn  Sn11  1  0.45  0.05  0.0  1.0
  Sn  Sn12  1  0.95  0.35  0.16  1.0
  Sn  Sn13  1  0.35  0.05  0.16  1.0
  Sn  Sn14  1  0.0  0.0  0.58  1.0
  Sn  Sn15  1  0.0  0.0  0.74  1.0

data_La5Sn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.32
_cell_length_b   9.59
_cell_length_c   9.59
_cell_angle_alpha   83.76
_cell_angle_beta   70.75
_cell_angle_gamma   70.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Sn3
_chemical_formula_sum   'La10 Sn6'
_cell_volume   517.59
_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  0.0  0.4  0.42  1.0
  La  La1  1  0.01  0.09  -0.0  1.0
  La  La2  1  0.1  0.69  -0.0  1.0
  La  La3  1  0.3  0.31  0.84  1.0
  La  La4  1  0.39  0.91  0.84  1.0
  La  La5  1  0.4  0.6  0.42  1.0
  La  La6  1  0.5  0.11  -0.0  1.0
  La  La7  1  0.61  0.69  -0.0  1.0
  La  La8  1  0.79  0.31  0.84  1.0
  La  La9  1  0.9  0.89  0.84  1.0
  Sn  Sn10  1  0.0  0.0  0.26  1.0
  Sn  Sn11  1  0.0  0.0  0.42  1.0
  Sn  Sn12  1  0.05  0.29  0.84  1.0
  Sn  Sn13  1  0.05  0.4  -0.0  1.0
  Sn  Sn14  1  0.35  0.6  0.84  1.0
  Sn  Sn15  1  0.35  0.71  -0.0  1.0

La La La La La La La La La La Sn Sn Sn Sn Sn Sn
La La La La La La La La La La Sn Sn Sn Sn Sn Sn 0 13 o o o 0 11 o o o 0 2 o o o 1 13 o + o 1 2 - o o 1 4 o + o 1 6 o + o 2 6 o o o 2 6 + + o 2 3 o o o 2 7 o o o 2 11 o o o 3 10 o o o 3 12 - o o 3 8 o o o 3 6 o o o 3 7 o o o 3 7 - - o 4 13 o o o 4 15 o o o 4 14 o o o 4 5 o - o 4 5 + o o 4 11 o o + 5 12 - o o 5 15 o o o 5 14 o o o 5 10 o o + 5 8 o o + 6 15 o o - 6 7 - - o 6 13 o o o 7 8 o o o 7 12 o + o 7 9 o + o 8 10 o o o 9 12 o o o 9 10 + o o 10 12 - o o 11 13 o o o 14 15 o o o 