data_Sc2SnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnSb
_chemical_formula_sum   'Sc2 Sn1 Sb1'
_cell_volume   93.06
_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  0.68  0.68  0.17  1.0
  Sc  Sc2  1  0.68  0.68  0.08  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.13  1.0

data_Sc2SnSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2SnSb
_chemical_formula_sum   'Sc4 Sn2 Sb2'
_cell_volume   186.12
_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  0.18  0.5  0.08  1.0
  Sc  Sc1  2  0.18  0.5  0.17  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.13  1.0

Sc Sc Sn Sb
Sc Sc Sn Sb 0 1 o o o 2 3 o o o 