data_ZnTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   117.04
_cell_angle_beta   117.04
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTc3
_chemical_formula_sum   'Zn1 Tc3'
_cell_volume   58.25
_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
  Tc  Tc0  1  0.18  0.74  0.89  1.0
  Tc  Tc1  1  0.0  0.51  0.89  1.0
  Tc  Tc2  1  0.82  0.74  0.89  1.0

data_ZnTc3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   117.04
_cell_angle_beta   100.02
_cell_angle_gamma   100.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTc3
_chemical_formula_sum   'Zn1 Tc3'
_cell_volume   58.25
_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
  Tc  Tc1  1  0.89  0.06  0.14  1.0
  Tc  Tc2  1  0.89  0.71  0.14  1.0
  Tc  Tc3  1  0.89  0.89  0.37  1.0

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