data_NbCo2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   131.23
_cell_angle_beta   131.23
_cell_angle_gamma   71.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Tc
_chemical_formula_sum   'Nb1 Co2 Tc1'
_cell_volume   52.71
_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  Nb2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.89  0.0  0.85  1.0
  Co  Co1  1  0.0  0.89  0.85  1.0
  Tc  Tc3  1  0.0  0.0  0.71  1.0

data_NbCo2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   125.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCo2Tc
_chemical_formula_sum   'Nb2 Co4 Tc2'
_cell_volume   105.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  4  0.06  0.06  0.97  1.0
  Tc  Tc2  2  0.0  0.0  0.71  1.0

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