data_ScTa2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.62
_cell_angle_alpha   91.93
_cell_angle_beta   91.93
_cell_angle_gamma   32.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Nb
_chemical_formula_sum   'Sc1 Ta2 Nb1'
_cell_volume   77.41
_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  0.28  0.0  0.4  1.0
  Ta  Ta2  1  0.58  0.0  0.56  1.0
  Ta  Ta3  1  0.32  0.0  0.23  1.0
  Nb  Nb0  1  0.82  0.0  0.86  1.0

data_ScTa2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.1
_cell_length_c   5.62
_cell_angle_alpha   91.93
_cell_angle_beta   90.0
_cell_angle_gamma   106.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Nb
_chemical_formula_sum   'Sc1 Ta2 Nb1'
_cell_volume   77.41
_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  0.72  0.6  1.0
  Ta  Ta1  1  0.0  0.42  0.44  1.0
  Ta  Ta2  1  0.0  0.68  0.77  1.0
  Nb  Nb3  1  0.0  0.18  0.14  1.0

Sc Ta Ta Nb