data_La4Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   8.22
_cell_angle_alpha   94.46
_cell_angle_beta   94.46
_cell_angle_gamma   147.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Sn5
_chemical_formula_sum   'La4 Sn5'
_cell_volume   285.46
_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  0.87  0.0  1.0
  La  La1  1  0.0  0.29  0.0  1.0
  La  La2  1  0.29  0.0  0.0  1.0
  La  La3  1  0.87  0.0  0.0  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.98  0.02  0.29  1.0
  Sn  Sn6  1  0.02  0.98  0.29  1.0
  Sn  Sn7  1  0.56  0.56  0.0  1.0
  Sn  Sn8  1  0.02  0.02  0.29  1.0

data_La4Sn5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   15.79
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La4Sn5
_chemical_formula_sum   'La8 Sn10'
_cell_volume   570.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.07  0.07  -0.0  1.0
  La  La1  4  0.35  0.35  -0.0  1.0
  Sn  Sn2  4  0.0  0.02  0.71  1.0
  Sn  Sn3  2  0.0  0.0  0.0  1.0
  Sn  Sn4  2  0.44  0.0  -0.0  1.0
  Sn  Sn5  2  0.48  0.5  0.71  1.0

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