data_NbTc2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.57
_cell_angle_alpha   105.36
_cell_angle_beta   105.36
_cell_angle_gamma   35.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2Se
_chemical_formula_sum   'Nb1 Tc2 Se1'
_cell_volume   63.39
_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  0.07  0.0  0.38  1.0
  Tc  Tc2  1  0.96  0.0  0.22  1.0
  Tc  Tc3  1  0.73  0.0  0.76  1.0
  Se  Se1  1  0.49  0.0  0.21  1.0

data_NbTc2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.57
_cell_length_c   4.96
_cell_angle_alpha   105.36
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2Se
_chemical_formula_sum   'Nb1 Tc2 Se1'
_cell_volume   63.39
_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  0.38  0.07  1.0
  Tc  Tc1  1  0.0  0.22  0.96  1.0
  Tc  Tc2  1  0.0  0.76  0.73  1.0
  Se  Se3  1  0.0  0.21  0.49  1.0

Nb Tc Tc Se