data_ZnFeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   3.86
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeTc2
_chemical_formula_sum   'Zn1 Fe1 Tc2'
_cell_volume   53.17
_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
  Zn  Zn3  1  0.0  0.0  0.59  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.33  0.93  0.26  1.0
  Tc  Tc2  1  0.33  0.93  0.93  1.0

data_ZnFeTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   3.86
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeTc2
_chemical_formula_sum   'Zn1 Fe1 Tc2'
_cell_volume   53.17
_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
  Zn  Zn0  1  0.0  0.0  0.59  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.33  0.93  0.26  1.0
  Tc  Tc3  1  0.33  0.93  0.93  1.0

Zn Fe Tc Tc
Zn Fe Tc Tc 0 2 o - o 0 3 o - o 0 1 o o + 1 3 o - - 1 2 o - o 2 3 o o - 