data_[Na2Tl2Cu2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3639]
_cell_length_b [4.2057]
_cell_length_c [9.5876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlCuBr3]
_chemical_formula_sum '[Na2 Tl2 Cu2 Br6]'
_cell_volume [366.3619]
_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
[
  Na  Na0  2  0.3435  0.2500  0.8542  1
  Tl  Tl1  2  0.1916  0.7500  0.2115  1
  Cu  Cu2  2  0.0658  0.7500  0.5758  1
  Br  Br3  2  0.1114  0.7500  0.8452  1
  Br  Br4  2  0.2032  0.2500  0.5256  1
  Br  Br5  2  0.4413  0.2500  0.1705  1
]