data_Sc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   144.44
_cell_angle_beta   136.51
_cell_angle_gamma   57.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Sn
_chemical_formula_sum   'Sc2 Sn1'
_cell_volume   68.85
_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  0.0  0.0  0.31  1.0
  Sc  Sc1  1  0.0  0.0  0.48  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

data_Sc2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.13
_cell_length_c   5.58
_cell_angle_alpha   111.74
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Sn
_chemical_formula_sum   'Sc2 Sn1'
_cell_volume   68.85
_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  0.52  0.52  0.52  1.0
  Sc  Sc1  1  0.69  0.69  0.69  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

Sc Sc Sn
Sc Sc Sn 0 1 o o o 0 2 o o o 