data_[Mg4Tl8In4Br20]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1457]
_cell_length_b [19.8320]
_cell_length_c [15.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MgTl2InBr5]
_chemical_formula_sum '[Mg4 Tl8 In4 Br20]'
_cell_volume [1310.9192]
_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  0.2570  0.0371  1.0
  Tl  Tl1  4  0.0000  0.0547  0.6243  1.0
  Tl  Tl2  4  0.0000  0.1227  0.3048  1.0
  In  In3  4  0.0000  0.4261  0.4591  1.0
  Br  Br4  4  0.0000  0.1278  0.0894  1.0
  Br  Br5  4  0.0000  0.2161  0.6450  1.0
  Br  Br6  4  0.0000  0.2769  0.4239  1.0
  Br  Br7  4  0.0000  0.3809  0.9736  1.0
  Br  Br8  4  0.0000  0.4972  0.2666  1.0
]