data_NbTc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.45
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   94.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2Sb
_chemical_formula_sum   'Nb1 Tc2 Sb1'
_cell_volume   68.86
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.56  0.23  0.99  1.0
  Tc  Tc3  1  0.03  0.23  0.21  1.0
  Sb  Sb1  1  0.3  0.0  0.6  1.0

data_NbTc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.45
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   94.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2Sb
_chemical_formula_sum   'Nb1 Tc2 Sb1'
_cell_volume   68.86
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.03  0.23  0.21  1.0
  Tc  Tc2  1  0.56  0.23  0.99  1.0
  Sb  Sb3  1  0.3  0.0  0.6  1.0

Nb Tc Tc Sb
Nb Tc Tc Sb 0 1 - o - 0 1 o o - 0 2 o o o 0 3 o o - 1 2 o o + 1 2 + o + 1 3 o o o 2 3 o o o 