data_KTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.53
_cell_angle_alpha   100.66
_cell_angle_beta   100.66
_cell_angle_gamma   34.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Bi
_chemical_formula_sum   'K1 Tl2 Bi1'
_cell_volume   136.82
_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
  Tl  Tl2  1  0.89  0.0  0.66  1.0
  Tl  Tl3  1  0.53  0.0  0.74  1.0
  Bi  Bi0  1  0.21  0.0  0.2  1.0

data_KTl2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   6.12
_cell_length_c   6.53
_cell_angle_alpha   100.66
_cell_angle_beta   90.0
_cell_angle_gamma   107.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Bi
_chemical_formula_sum   'K1 Tl2 Bi1'
_cell_volume   136.82
_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
  Tl  Tl1  1  0.0  0.11  0.34  1.0
  Tl  Tl2  1  0.0  0.47  0.26  1.0
  Bi  Bi3  1  0.0  0.79  0.8  1.0

K Tl Tl Bi
K Tl Tl Bi 0 3 o o o 0 1 - o - 1 2 o o o 