data_ScAlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.59
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   95.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlSn2
_chemical_formula_sum   'Sc1 Al1 Sn2'
_cell_volume   92.44
_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  Sc1  1  0.15  0.3  0.51  1.0
  Al  Al0  1  0.01  0.0  0.02  1.0
  Sn  Sn2  1  0.79  0.0  0.82  1.0
  Sn  Sn3  1  0.8  0.3  0.63  1.0

data_ScAlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.59
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   95.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlSn2
_chemical_formula_sum   'Sc1 Al1 Sn2'
_cell_volume   92.44
_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  0.15  0.3  0.51  1.0
  Al  Al1  1  0.01  0.0  0.02  1.0
  Sn  Sn2  1  0.79  0.0  0.82  1.0
  Sn  Sn3  1  0.8  0.3  0.63  1.0

Sc Al Sn Sn
Sc Al Sn Sn 0 3 - o o 1 2 - o - 