data_NbTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   147.9
_cell_angle_beta   61.55
_cell_angle_gamma   129.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc3
_chemical_formula_sum   'Nb1 Tc3'
_cell_volume   62.43
_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  0.43  1.0
  Tc  Tc1  1  0.48  0.5  0.37  1.0
  Tc  Tc2  1  0.48  0.0  0.21  1.0
  Tc  Tc3  1  0.0  0.1  0.67  1.0

data_NbTc3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.6
_cell_length_c   5.34
_cell_angle_alpha   115.5
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc3
_chemical_formula_sum   'Nb1 Tc3'
_cell_volume   62.43
_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  0.57  0.57  1.0
  Tc  Tc1  1  0.02  0.13  0.65  1.0
  Tc  Tc2  1  0.1  0.43  0.43  1.0
  Tc  Tc3  1  0.52  0.79  0.31  1.0

Nb Tc Tc Tc