data_KTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38
_cell_length_b   8.38
_cell_length_c   4.61
_cell_angle_alpha   101.18
_cell_angle_beta   101.18
_cell_angle_gamma   21.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Tc
_chemical_formula_sum   'K1 Tl2 Tc1'
_cell_volume   116.28
_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  0.62  0.0  0.07  1.0
  Tl  Tl2  1  0.28  0.0  0.5  1.0
  Tl  Tl3  1  0.45  0.0  0.23  1.0
  Tc  Tc1  1  0.97  0.0  0.97  1.0

data_KTl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.61
_cell_length_c   8.38
_cell_angle_alpha   101.18
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Tc
_chemical_formula_sum   'K1 Tl2 Tc1'
_cell_volume   116.28
_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  0.07  0.62  1.0
  Tl  Tl1  1  0.0  0.23  0.45  1.0
  Tl  Tl2  1  0.0  0.5  0.28  1.0
  Tc  Tc3  1  0.0  0.97  0.97  1.0

K Tl Tl Tc
K Tl Tl Tc 0 2 o o o 0 3 o o - 1 2 o o o 1 3 - o o 1 3 - o - 3 3 + - o 