data_KTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc2
_chemical_formula_sum   'K2 Tc4'
_cell_volume   140.53
_cell_formula_units_Z   2
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  0.58  0.49  0.58  1.0
  K  K1  1  0.0  0.97  0.53  1.0
  Tc  Tc2  1  0.0  0.0  0.06  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Tc  Tc4  1  0.58  0.49  0.53  1.0
  Tc  Tc5  1  0.0  0.97  0.58  1.0

data_KTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc2
_chemical_formula_sum   'K2 Tc4'
_cell_volume   140.53
_cell_formula_units_Z   2
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  0.97  0.53  1.0
  K  K1  1  0.58  0.49  0.58  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.06  1.0
  Tc  Tc4  1  0.0  0.97  0.58  1.0
  Tc  Tc5  1  0.58  0.49  0.53  1.0

K K Tc Tc Tc Tc
K K Tc Tc Tc Tc 0 4 o o o 1 5 o o o 2 3 o o o 