data_Sc2FeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   133.41
_cell_angle_beta   133.41
_cell_angle_gamma   68.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeSn
_chemical_formula_sum   'Sc2 Fe1 Sn1'
_cell_volume   74.56
_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  0.0  0.07  0.17  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.34  1.0
  Sn  Sn3  1  0.07  0.0  0.17  1.0

data_Sc2FeSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.24
_cell_angle_alpha   113.29
_cell_angle_beta   113.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeSn
_chemical_formula_sum   'Sc2 Fe1 Sn1'
_cell_volume   74.56
_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  0.0  1.0
  Sc  Sc1  1  0.9  0.07  0.9  1.0
  Fe  Fe2  1  0.66  0.0  0.66  1.0
  Sn  Sn3  1  0.83  0.0  0.9  1.0

Sc Sc Fe Sn