data_[Mg4Tl12Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.4054]
_cell_length_b [14.9370]
_cell_length_c [7.1184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg(TlCl2)3]
_chemical_formula_sum '[Mg4 Tl12 Cl24]'
_cell_volume [1319.0405]
_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  0.2060  0.4626  1.0
  Tl  Tl1  8  0.1786  0.1031  0.0212  1.0
  Tl  Tl2  4  0.0000  0.4172  0.1150  1.0
  Cl  Cl3  8  0.1451  0.2766  0.2999  1.0
  Cl  Cl4  8  0.1459  0.4648  0.8243  1.0
  Cl  Cl5  4  0.0000  0.0565  0.3582  1.0
  Cl  Cl6  4  0.0000  0.2183  0.7882  1.0
]