data_[Mg4Tl8Ag4Br20]
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 [Cmc2_1]
_cell_length_a [4.1804]
_cell_length_b [19.9764]
_cell_length_c [13.8865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MgTl2AgBr5]
_chemical_formula_sum '[Mg4 Tl8 Ag4 Br20]'
_cell_volume [1159.6559]
_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  4  0.0000  0.2164  0.0220  1
  Tl  Tl1  4  0.0000  0.1127  0.6832  1
  Tl  Tl2  4  0.0000  0.1289  0.3082  1
  Ag  Ag3  4  0.0000  0.4384  0.4346  1
  Br  Br4  4  0.0000  0.0831  0.0531  1
  Br  Br5  4  0.0000  0.2764  0.6540  1
  Br  Br6  4  0.0000  0.2949  0.3905  1
  Br  Br7  4  0.0000  0.3493  0.0048  1
  Br  Br8  4  0.0000  0.4966  0.7736  1
]