data_KTlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   7.83
_cell_angle_alpha   106.41
_cell_angle_beta   106.41
_cell_angle_gamma   58.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlCl2
_chemical_formula_sum   'K1 Tl1 Cl2'
_cell_volume   134.07
_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  0.0  1.0
  Tl  Tl3  1  0.74  0.0  0.7  1.0
  Cl  Cl0  1  0.38  0.0  0.79  1.0
  Cl  Cl1  1  0.1  0.0  0.62  1.0

data_KTlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.6
_cell_length_c   7.83
_cell_angle_alpha   106.41
_cell_angle_beta   90.0
_cell_angle_gamma   119.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlCl2
_chemical_formula_sum   'K1 Tl1 Cl2'
_cell_volume   134.07
_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  0.26  0.3  1.0
  Cl  Cl2  1  0.0  0.62  0.21  1.0
  Cl  Cl3  1  0.0  0.9  0.38  1.0

K Tl Cl Cl