data_ZnCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   132.06
_cell_angle_beta   132.06
_cell_angle_gamma   70.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoTc2
_chemical_formula_sum   'Zn1 Co1 Tc2'
_cell_volume   53.44
_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  0.88  0.89  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.88  0.0  0.89  1.0
  Tc  Tc2  1  0.0  0.0  0.78  1.0

data_ZnCoTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   4.62
_cell_angle_alpha   113.97
_cell_angle_beta   113.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoTc2
_chemical_formula_sum   'Zn1 Co1 Tc2'
_cell_volume   53.44
_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  0.99  0.88  0.99  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.11  0.0  0.99  1.0
  Tc  Tc3  1  0.22  0.0  0.22  1.0

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