data_K2TlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   10.17
_cell_angle_alpha   101.04
_cell_angle_beta   101.04
_cell_angle_gamma   58.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlCl
_chemical_formula_sum   'K2 Tl1 Cl1'
_cell_volume   149.54
_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  0.19  0.0  0.93  1.0
  K  K2  1  0.92  0.0  0.99  1.0
  Tl  Tl3  1  0.55  0.0  0.96  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_K2TlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.21
_cell_length_c   10.17
_cell_angle_alpha   101.04
_cell_angle_beta   90.0
_cell_angle_gamma   119.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlCl
_chemical_formula_sum   'K2 Tl1 Cl1'
_cell_volume   149.54
_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  0.08  0.01  1.0
  K  K1  1  0.0  0.81  0.07  1.0
  Tl  Tl2  1  0.0  0.45  0.04  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

K K Tl Cl
K K Tl Cl 0 3 o o + 0 1 - o o 0 2 o o o 1 3 + o + 1 2 o o o 