data_[Na2Mg2Tl2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3901]
_cell_length_b [7.6637]
_cell_length_c [8.8955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaMgTlBr4]
_chemical_formula_sum '[Na2 Mg2 Tl2 Br8]'
_cell_volume [483.1841]
_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  0.2210  0.2500  0.5592  1.0
  Mg  Mg1  2  0.2477  0.7500  0.3259  1.0
  Tl  Tl2  2  0.2315  0.2500  0.0554  1.0
  Br  Br3  4  0.0128  0.5011  0.2770  1.0
  Br  Br4  2  0.4449  0.7500  0.1389  1.0
  Br  Br5  2  0.4672  0.7500  0.5967  1.0
]