data_[K2Tl2Ni2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1748]
_cell_length_b [7.4296]
_cell_length_c [9.5423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTlNiBr4]
_chemical_formula_sum '[K2 Tl2 Ni2 Br8]'
_cell_volume [478.3952]
_cell_formula_units_Z [2]
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  2  0.2078  0.2500  0.5496  1.0
  Tl  Tl1  2  0.2666  0.2500  0.0681  1.0
  Ni  Ni2  2  0.2404  0.7500  0.3038  1.0
  Br  Br3  4  0.0111  0.5039  0.2379  1.0
  Br  Br4  2  0.3678  0.7500  0.5691  1.0
  Br  Br5  2  0.4054  0.7500  0.1259  1.0
]