data_Sc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   148.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Sn
_chemical_formula_sum   'Sc4 Sn2'
_cell_volume   138.3
_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
  Sc  Sc0  1  0.07  0.15  0.13  1.0
  Sc  Sc1  1  0.07  0.85  0.38  1.0
  Sc  Sc2  1  0.07  0.28  0.13  1.0
  Sc  Sc3  1  0.07  0.72  0.38  1.0
  Sn  Sn4  1  0.07  0.95  0.13  1.0
  Sn  Sn5  1  0.07  0.05  0.38  1.0

data_Sc2Sn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.13
_cell_length_b   4.51
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   105.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sc2Sn
_chemical_formula_sum   'Sc4 Sn2'
_cell_volume   138.3
_cell_formula_units_Z   2
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
  Sc  Sc0  2  0.15  0.63  0.65  1.0
  Sc  Sc1  2  0.28  0.63  0.78  1.0
  Sn  Sn2  2  0.05  0.37  0.55  1.0

Sc Sc Sc Sc Sn Sn