data_ScNbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   136.82
_cell_angle_beta   136.82
_cell_angle_gamma   62.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbSb2
_chemical_formula_sum   'Sc1 Nb1 Sb2'
_cell_volume   86.44
_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  Sc3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.1  0.0  0.44  1.0
  Sb  Sb1  1  0.0  0.0  0.88  1.0
  Sb  Sb2  1  0.0  0.1  0.44  1.0

data_ScNbSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.72
_cell_angle_alpha   111.59
_cell_angle_beta   111.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbSb2
_chemical_formula_sum   'Sc1 Nb1 Sb2'
_cell_volume   86.44
_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
  Nb  Nb1  1  0.44  0.34  0.34  1.0
  Sb  Sb2  1  0.34  0.44  0.34  1.0
  Sb  Sb3  1  0.88  0.88  0.88  1.0

Sc Nb Sb Sb
Sc Nb Sb Sb 0 2 o o - 1 3 o o o 