data_NbTcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcAg
_chemical_formula_sum   'Nb1 Tc1 Ag1'
_cell_volume   49.77
_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  Nb1  1  0.0  0.0  0.95  1.0
  Tc  Tc2  1  0.0  0.68  0.71  1.0
  Ag  Ag0  1  0.32  0.34  0.01  1.0

data_NbTcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcAg
_chemical_formula_sum   'Nb1 Tc1 Ag1'
_cell_volume   49.77
_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  0.95  0.0  0.0  1.0
  Tc  Tc1  1  0.71  0.0  0.68  1.0
  Ag  Ag2  1  0.01  0.32  0.34  1.0

Nb Tc Ag
Nb Tc Ag 0 1 o - o 0 2 o o + 