data_[K2Na1Tl1Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0292]
_cell_length_b [4.6530]
_cell_length_c [8.1118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2NaTlBr4]
_chemical_formula_sum '[K2 Na1 Tl1 Br4]'
_cell_volume [285.9686]
_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  0.5000  0.0000  0.5000  1.0
  K  K1  1  0.5000  0.5000  0.0000  1.0
  Na  Na2  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  1  0.0000  0.5000  0.5000  1.0
  Br  Br4  2  0.2357  0.5000  0.2323  1.0
  Br  Br5  2  0.2432  0.0000  0.7654  1.0
]