data_ZnTcCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcCl2
_chemical_formula_sum   'Zn1 Tc1 Cl2'
_cell_volume   79.73
_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  0.31  1.0
  Tc  Tc2  1  0.57  0.0  0.47  1.0
  Cl  Cl0  1  0.57  0.0  0.61  1.0
  Cl  Cl1  1  0.0  0.0  0.21  1.0

data_ZnTcCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.21
_cell_length_b   5.47
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnTcCl2
_chemical_formula_sum   'Zn2 Tc2 Cl4'
_cell_volume   159.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.69  1.0
  Tc  Tc1  2  0.43  0.0  0.53  1.0
  Cl  Cl2  2  0.0  0.0  0.79  1.0
  Cl  Cl3  2  0.43  0.0  0.39  1.0

Zn Tc Cl Cl
Zn Tc Cl Cl 0 3 o o o 1 2 o o o 