data_[Mg24Tl4Hg8]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5212]
_cell_length_b [10.4775]
_cell_length_c [5.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg6TlHg2]
_chemical_formula_sum '[Mg24 Tl4 Hg8]'
_cell_volume [822.6332]
_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  0.0504  0.3678  0.5082  1
  Mg  Mg1  8  0.1187  0.1468  0.8228  1
  Mg  Mg2  8  0.2228  0.1326  0.3414  1
  Tl  Tl3  4  0.0000  0.1051  0.2500  1
  Hg  Hg4  8  0.1666  0.3889  0.0976  1
]