data_ScNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   6.06
_cell_angle_alpha   122.06
_cell_angle_beta   122.06
_cell_angle_gamma   52.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb
_chemical_formula_sum   'Sc3 Nb3'
_cell_volume   124.93
_cell_formula_units_Z   3
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  0.07  0.42  0.0  1.0
  Sc  Sc4  1  0.75  0.23  0.68  1.0
  Sc  Sc5  1  0.8  0.23  0.2  1.0
  Nb  Nb0  1  0.52  0.71  0.8  1.0
  Nb  Nb1  1  0.03  0.71  0.08  1.0
  Nb  Nb2  1  0.27  0.22  0.44  1.0

data_ScNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.05
_cell_length_b   5.66
_cell_length_c   5.69
_cell_angle_alpha   64.51
_cell_angle_beta   63.66
_cell_angle_gamma   63.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb
_chemical_formula_sum   'Sc3 Nb3'
_cell_volume   124.93
_cell_formula_units_Z   3
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  0.58  0.49  0.0  1.0
  Sc  Sc1  1  0.77  0.3  0.68  1.0
  Sc  Sc2  1  0.77  0.83  0.2  1.0
  Nb  Nb3  1  0.29  0.42  0.8  1.0
  Nb  Nb4  1  0.29  0.67  0.08  1.0
  Nb  Nb5  1  0.78  0.06  0.44  1.0

Sc Sc Sc Nb Nb Nb