data_Sc2AlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlSn
_chemical_formula_sum   'Sc2 Al1 Sn1'
_cell_volume   89.09
_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  0.41  0.0  0.19  1.0
  Sc  Sc2  1  0.0  0.0  0.56  1.0
  Al  Al0  1  0.0  0.0  0.89  1.0
  Sn  Sn3  1  0.41  0.0  0.57  1.0

data_Sc2AlSn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2AlSn
_chemical_formula_sum   'Sc2 Al1 Sn1'
_cell_volume   89.13
_cell_formula_units_Z   1
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  1  0.0  0.0  0.56  1.0
  Sc  Sc1  1  0.41  0.0  0.19  1.0
  Al  Al2  1  0.0  0.0  0.89  1.0
  Sn  Sn3  1  0.41  0.0  0.57  1.0

Sc Sc Al Sn