data_[Mg8Tl4Ag4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4318]
_cell_length_b [14.1987]
_cell_length_c [7.8202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2TlAgBr6]
_chemical_formula_sum '[Mg8 Tl4 Ag4 Br24]'
_cell_volume [1505.6988]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  8  0.1896  0.4253  0.2011  1.0
  Tl  Tl1  4  0.0000  0.1148  0.2500  1.0
  Ag  Ag2  4  0.0000  0.2312  0.7500  1.0
  Br  Br3  8  0.1247  0.0760  0.6870  1.0
  Br  Br4  8  0.1268  0.2644  0.0766  1.0
  Br  Br5  8  0.1285  0.4415  0.4726  1.0
]