data_La3Sn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.28
_cell_length_b   13.28
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   160.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Sn7
_chemical_formula_sum   'La3 Sn7'
_cell_volume   284.46
_cell_formula_units_Z   1
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  0.31  0.0  0.36  1.0
  La  La1  1  0.31  0.15  0.36  1.0
  La  La2  1  0.31  0.85  0.36  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Sn  Sn4  1  0.31  0.6  0.36  1.0
  Sn  Sn5  1  0.31  0.51  0.0  1.0
  Sn  Sn6  1  0.31  0.56  0.0  1.0
  Sn  Sn7  1  0.31  0.44  0.0  1.0
  Sn  Sn8  1  0.31  0.49  0.0  1.0
  Sn  Sn9  1  0.31  0.4  0.36  1.0

data_La3Sn7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   4.72
_cell_length_c   13.28
_cell_angle_alpha   90.0
_cell_angle_beta   99.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Sn7
_chemical_formula_sum   'La3 Sn7'
_cell_volume   284.46
_cell_formula_units_Z   1
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  0.64  0.69  1.0
  La  La1  1  0.15  0.64  0.84  1.0
  La  La2  1  0.85  0.64  0.54  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Sn  Sn4  1  0.4  0.64  0.09  1.0
  Sn  Sn5  1  0.44  0.0  0.13  1.0
  Sn  Sn6  1  0.49  0.0  0.19  1.0
  Sn  Sn7  1  0.51  -0.0  0.2  1.0
  Sn  Sn8  1  0.56  -0.0  0.25  1.0
  Sn  Sn9  1  0.6  0.64  0.3  1.0

La La La Sn Sn Sn Sn Sn Sn Sn
La La La Sn Sn Sn Sn Sn Sn Sn 0 1 o o o 0 2 o - o 1 3 o o o 3 9 o o o 3 8 o o o 3 7 o o o 4 8 o o o 4 6 o o o 4 5 o o o 5 8 o o o 5 6 o o o 5 9 o o o 7 8 o o o 7 9 o o o 8 9 o o o 