data_NbRe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.42
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   100.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2Tc
_chemical_formula_sum   'Nb1 Re2 Tc1'
_cell_volume   62.84
_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  0.97  0.0  0.84  1.0
  Re  Re1  1  0.05  0.21  0.03  1.0
  Re  Re2  1  0.87  0.0  0.26  1.0
  Tc  Tc3  1  0.81  0.21  0.59  1.0

data_NbRe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.42
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   100.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2Tc
_chemical_formula_sum   'Nb1 Re2 Tc1'
_cell_volume   62.84
_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  0.97  0.0  0.84  1.0
  Re  Re1  1  0.05  0.21  0.03  1.0
  Tc  Tc2  1  0.81  0.21  0.59  1.0
  Re  Re3  1  0.87  0.0  0.26  1.0

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