data_KTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   5.49
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   101.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Bi
_chemical_formula_sum   'K1 Tl2 Bi1'
_cell_volume   144.28
_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  K1  1  0.78  0.0  0.33  1.0
  Tl  Tl2  1  0.45  0.74  0.39  1.0
  Tl  Tl3  1  0.44  0.0  0.81  1.0
  Bi  Bi0  1  0.33  0.74  0.25  1.0

data_KTl2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.49
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   101.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Bi
_chemical_formula_sum   'K1 Tl2 Bi1'
_cell_volume   144.28
_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  0.78  0.0  0.33  1.0
  Tl  Tl1  1  0.44  0.0  0.81  1.0
  Tl  Tl2  1  0.45  0.74  0.39  1.0
  Bi  Bi3  1  0.33  0.74  0.25  1.0

K Tl Tl Bi