data_K2TlBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   6.17
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlBr
_chemical_formula_sum   'K2 Tl1 Br1'
_cell_volume   152.9
_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  0.46  0.08  0.8  1.0
  K  K2  1  0.51  0.0  0.81  1.0
  Tl  Tl3  1  0.5  0.08  0.89  1.0
  Br  Br0  1  0.56  0.0  0.74  1.0

data_K2TlBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   6.16
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlBr
_chemical_formula_sum   'K2 Tl1 Br1'
_cell_volume   152.9
_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  0.49  0.19  0.0  1.0
  K  K1  1  0.54  0.2  0.92  1.0
  Tl  Tl2  1  0.5  0.11  0.92  1.0
  Br  Br3  1  0.44  0.26  0.0  1.0

K K Tl Br