data_Sc8Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   95.33
_cell_angle_beta   95.33
_cell_angle_gamma   144.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Sn
_chemical_formula_sum   'Sc8 Sn1'
_cell_volume   214.64
_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
  Sc  Sc0  1  0.6  0.4  0.22  1.0
  Sc  Sc1  1  0.4  0.6  0.22  1.0
  Sc  Sc2  1  0.29  0.0  0.0  1.0
  Sc  Sc3  1  0.6  0.6  0.22  1.0
  Sc  Sc4  1  0.0  0.29  0.0  1.0
  Sc  Sc5  1  0.31  0.31  0.0  1.0
  Sc  Sc6  1  0.53  0.0  0.0  1.0
  Sc  Sc7  1  0.0  0.53  0.0  1.0
  Sn  Sn8  1  0.0  0.0  0.0  1.0

data_Sc8Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   13.9
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc8Sn
_chemical_formula_sum   'Sc16 Sn2'
_cell_volume   429.29
_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
  Sc  Sc0  4  0.0  0.4  0.78  1.0
  Sc  Sc1  4  0.23  0.77  0.0  1.0
  Sc  Sc2  4  0.35  0.65  -0.0  1.0
  Sc  Sc3  2  0.19  0.5  -0.0  1.0
  Sc  Sc4  2  0.4  0.0  0.78  1.0
  Sn  Sn5  2  0.0  0.0  0.0  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Sn