data_KTaTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65
_cell_length_b   8.65
_cell_length_c   8.65
_cell_angle_alpha   159.47
_cell_angle_beta   146.49
_cell_angle_gamma   39.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaTl2
_chemical_formula_sum   'K1 Ta1 Tl2'
_cell_volume   124.98
_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  0.15  1.0
  Ta  Ta1  1  0.0  0.49  0.4  1.0
  Tl  Tl2  1  0.0  0.0  0.08  1.0
  Tl  Tl3  1  0.54  0.0  0.91  1.0

data_KTaTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.99
_cell_length_c   8.65
_cell_angle_alpha   106.76
_cell_angle_beta   100.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaTl2
_chemical_formula_sum   'K1 Ta1 Tl2'
_cell_volume   124.98
_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  0.15  0.15  1.0
  Ta  Ta1  1  0.51  0.91  0.91  1.0
  Tl  Tl2  1  0.0  0.08  0.08  1.0
  Tl  Tl3  1  0.0  0.91  0.37  1.0

K Ta Tl Tl