data_KCdTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   5.45
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   96.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdTc2
_chemical_formula_sum   'K1 Cd1 Tc2'
_cell_volume   79.42
_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  K1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.06  0.0  0.68  1.0
  Tc  Tc2  1  0.49  0.72  0.17  1.0
  Tc  Tc3  1  0.62  0.72  0.19  1.0

data_KCdTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.39
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdTc2
_chemical_formula_sum   'K1 Cd1 Tc2'
_cell_volume   79.42
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.94  0.32  0.0  1.0
  Tc  Tc2  1  0.38  0.81  0.28  1.0
  Tc  Tc3  1  0.51  0.83  0.28  1.0

K Cd Tc Tc