data_ZnTc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.32
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   94.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTc2Sb
_chemical_formula_sum   'Zn1 Tc2 Sb1'
_cell_volume   67.41
_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  Tc1  1  0.61  0.16  0.02  1.0
  Tc  Tc2  1  0.01  0.16  0.15  1.0
  Sb  Sb0  1  0.31  0.0  0.58  1.0

data_ZnTc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.32
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   94.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTc2Sb
_chemical_formula_sum   'Zn1 Tc2 Sb1'
_cell_volume   67.41
_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  0.01  0.16  0.15  1.0
  Tc  Tc2  1  0.61  0.16  0.02  1.0
  Sb  Sb3  1  0.31  0.0  0.58  1.0

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