data_ScNbSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   140.89
_cell_angle_beta   140.89
_cell_angle_gamma   56.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbSn
_chemical_formula_sum   'Sc1 Nb1 Sn1'
_cell_volume   62.32
_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  0.0  0.19  1.0
  Nb  Nb0  1  0.0  0.0  0.05  1.0
  Sn  Sn2  1  0.0  0.0  0.28  1.0

data_ScNbSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   118.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScNbSn
_chemical_formula_sum   'Sc2 Nb2 Sn2'
_cell_volume   124.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.19  0.0  0.19  1.0
  Nb  Nb1  2  0.05  0.0  0.05  1.0
  Sn  Sn2  2  0.28  0.0  0.28  1.0

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