data_NbCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   99.8
_cell_angle_beta   99.8
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoTc2
_chemical_formula_sum   'Nb1 Co1 Tc2'
_cell_volume   58.26
_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  0.64  0.0  0.25  1.0
  Co  Co0  1  0.14  0.0  0.37  1.0
  Tc  Tc2  1  0.18  0.0  0.55  1.0
  Tc  Tc3  1  0.54  0.0  0.48  1.0

data_NbCoTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   99.8
_cell_angle_beta   90.0
_cell_angle_gamma   107.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoTc2
_chemical_formula_sum   'Nb1 Co1 Tc2'
_cell_volume   58.26
_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  0.36  0.75  1.0
  Co  Co1  1  0.0  0.86  0.63  1.0
  Tc  Tc2  1  0.0  0.46  0.52  1.0
  Tc  Tc3  1  0.0  0.82  0.45  1.0

Nb Co Tc Tc
Nb Co Tc Tc 0 3 o o o 1 2 o o o 