data_KTcCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   4.35
_cell_angle_alpha   91.37
_cell_angle_beta   91.37
_cell_angle_gamma   27.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcCl2
_chemical_formula_sum   'K1 Tc1 Cl2'
_cell_volume   107.28
_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
  K  K2  1  0.46  0.0  0.72  1.0
  Tc  Tc3  1  0.22  0.0  0.5  1.0
  Cl  Cl0  1  0.66  0.0  0.58  1.0
  Cl  Cl1  1  0.85  0.0  0.72  1.0

data_KTcCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.35
_cell_length_c   7.32
_cell_angle_alpha   91.37
_cell_angle_beta   103.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcCl2
_chemical_formula_sum   'K1 Tc1 Cl2'
_cell_volume   107.28
_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
  K  K0  1  0.0  0.72  0.46  1.0
  Tc  Tc1  1  0.0  0.5  0.22  1.0
  Cl  Cl2  1  0.0  0.58  0.66  1.0
  Cl  Cl3  1  0.0  0.72  0.85  1.0

K Tc Cl Cl
K Tc Cl Cl 0 2 o o o 0 1 o o o 2 3 o o o 