data_ZnCr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   3.79
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Tc
_chemical_formula_sum   'Zn1 Cr2 Tc1'
_cell_volume   52.44
_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  0.0  1.0
  Cr  Cr0  1  0.33  0.9  0.37  1.0
  Cr  Cr1  1  0.33  0.9  0.82  1.0
  Tc  Tc2  1  0.0  0.0  0.6  1.0

data_ZnCr2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   3.79
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Tc
_chemical_formula_sum   'Zn1 Cr2 Tc1'
_cell_volume   52.44
_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  0.0  1.0
  Cr  Cr1  1  0.33  0.9  0.37  1.0
  Cr  Cr2  1  0.33  0.9  0.82  1.0
  Tc  Tc3  1  0.0  0.0  0.6  1.0

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