data_Sc2NbSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.27
_cell_angle_alpha   100.33
_cell_angle_beta   100.33
_cell_angle_gamma   34.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbSb
_chemical_formula_sum   'Sc2 Nb1 Sb1'
_cell_volume   85.94
_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  Sc2  1  0.27  0.0  0.11  1.0
  Sc  Sc3  1  0.61  0.0  0.35  1.0
  Nb  Nb0  1  0.78  0.0  0.64  1.0
  Sb  Sb1  1  0.79  0.0  0.84  1.0

data_Sc2NbSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.27
_cell_length_c   5.43
_cell_angle_alpha   100.33
_cell_angle_beta   107.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbSb
_chemical_formula_sum   'Sc2 Nb1 Sb1'
_cell_volume   85.94
_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  0.11  0.27  1.0
  Sc  Sc1  1  0.0  0.35  0.61  1.0
  Nb  Nb2  1  0.0  0.64  0.78  1.0
  Sb  Sb3  1  0.0  0.84  0.79  1.0

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