data_Sc2NbSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.37
_cell_angle_alpha   102.7
_cell_angle_beta   102.7
_cell_angle_gamma   34.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbSn
_chemical_formula_sum   'Sc2 Nb1 Sn1'
_cell_volume   85.3
_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  0.62  0.0  0.91  1.0
  Sc  Sc2  1  0.32  0.0  0.31  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.47  0.0  0.61  1.0

data_Sc2NbSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.34
_cell_length_c   5.37
_cell_angle_alpha   102.7
_cell_angle_beta   90.0
_cell_angle_gamma   107.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbSn
_chemical_formula_sum   'Sc2 Nb1 Sn1'
_cell_volume   85.3
_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  0.38  0.09  1.0
  Sc  Sc1  1  0.0  0.68  0.69  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.53  0.39  1.0

Sc Sc Nb Sn