data_Nb2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.37
_cell_angle_alpha   94.28
_cell_angle_beta   94.28
_cell_angle_gamma   30.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcAg
_chemical_formula_sum   'Nb2 Tc1 Ag1'
_cell_volume   68.18
_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  0.16  0.0  0.31  1.0
  Nb  Nb2  1  0.05  0.0  0.05  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.6  0.0  0.68  1.0

data_Nb2TcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.99
_cell_length_c   5.37
_cell_angle_alpha   94.28
_cell_angle_beta   90.0
_cell_angle_gamma   105.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcAg
_chemical_formula_sum   'Nb2 Tc1 Ag1'
_cell_volume   68.18
_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  0.84  0.69  1.0
  Nb  Nb1  1  0.0  0.95  0.95  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.4  0.32  1.0

Nb Nb Tc Ag