data_[Li2Tl2Ni2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [6.5393]
_cell_length_b [8.1121]
_cell_length_c [8.7948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlNiBr4]
_chemical_formula_sum '[Li2 Tl2 Ni2 Br8]'
_cell_volume [454.6204]
_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
[
  Li  Li0  2  0.3161  0.2500  0.6793  1.0
  Tl  Tl1  2  0.1897  0.2500  0.0819  1.0
  Ni  Ni2  2  0.1956  0.7500  0.3285  1.0
  Br  Br3  4  0.0574  0.0311  0.7365  1.0
  Br  Br4  2  0.3522  0.7500  0.1030  1.0
  Br  Br5  2  0.4934  0.7500  0.5384  1.0
]