data_NbZn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   4.21
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Tc
_chemical_formula_sum   'Nb1 Zn2 Tc1'
_cell_volume   60.81
_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
  Zn  Zn2  1  0.35  0.1  0.95  1.0
  Zn  Zn3  1  0.35  0.1  0.39  1.0
  Tc  Tc1  1  0.0  0.0  0.67  1.0

data_NbZn2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.21
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Tc
_chemical_formula_sum   'Nb1 Zn2 Tc1'
_cell_volume   60.81
_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
  Zn  Zn1  1  0.35  0.1  0.39  1.0
  Zn  Zn2  1  0.35  0.1  0.95  1.0
  Tc  Tc3  1  0.0  0.0  0.67  1.0

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