data_KTlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   141.08
_cell_angle_beta   131.05
_cell_angle_gamma   64.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlBi2
_chemical_formula_sum   'K1 Tl1 Bi2'
_cell_volume   145.61
_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  K2  1  0.0  0.0  0.59  1.0
  Tl  Tl3  1  0.0  0.81  0.89  1.0
  Bi  Bi0  1  0.0  0.0  0.45  1.0
  Bi  Bi1  1  0.26  0.0  0.55  1.0

data_KTlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   5.62
_cell_length_c   6.78
_cell_angle_alpha   114.48
_cell_angle_beta   109.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlBi2
_chemical_formula_sum   'K1 Tl1 Bi2'
_cell_volume   145.61
_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  0.59  0.59  1.0
  Tl  Tl1  1  0.19  0.09  0.09  1.0
  Bi  Bi2  1  0.0  0.45  0.45  1.0
  Bi  Bi3  1  0.0  0.55  0.29  1.0

K Tl Bi Bi