data_NbTc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2Mo
_chemical_formula_sum   'Nb1 Tc2 Mo1'
_cell_volume   63.1
_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  0.0  1.0
  Tc  Tc2  1  0.58  0.0  0.24  1.0
  Tc  Tc3  1  0.58  0.0  0.59  1.0
  Mo  Mo0  1  0.0  0.0  0.41  1.0

data_NbTc2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2Mo
_chemical_formula_sum   'Nb1 Tc2 Mo1'
_cell_volume   63.1
_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  0.58  0.0  0.24  1.0
  Tc  Tc2  1  0.58  0.0  0.59  1.0
  Mo  Mo3  1  0.0  0.0  0.41  1.0

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