data_Nb2ZnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   139.35
_cell_angle_beta   128.29
_cell_angle_gamma   67.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnTc
_chemical_formula_sum   'Nb2 Zn1 Tc1'
_cell_volume   65.17
_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  0.21  0.97  1.0
  Nb  Nb1  1  0.76  0.0  0.23  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.2  1.0

data_Nb2ZnTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.41
_cell_length_c   5.06
_cell_angle_alpha   115.85
_cell_angle_beta   110.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnTc
_chemical_formula_sum   'Nb2 Zn1 Tc1'
_cell_volume   65.17
_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  0.03  0.23  0.23  1.0
  Nb  Nb1  1  0.53  0.77  0.53  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.8  0.8  0.8  1.0

Nb Nb Zn Tc
Nb Nb Zn Tc 0 2 o o + 1 3 + o o 2 3 o o o 