data_[Mg24Tl10Hg4]
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/m]
_cell_length_a [15.8236]
_cell_length_b [10.1731]
_cell_length_c [5.8796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg12Tl5Hg2]
_chemical_formula_sum '[Mg24 Tl10 Hg4]'
_cell_volume [912.1399]
_cell_formula_units_Z [2]
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  0.0986  0.2522  0.6348  1
  Mg  Mg1  8  0.1944  0.2588  0.2101  1
  Mg  Mg2  4  0.0482  0.5000  0.2855  1
  Mg  Mg3  4  0.1018  0.0000  0.0152  1
  Tl  Tl4  4  0.1831  0.5000  0.8644  1
  Tl  Tl5  4  0.2102  0.0000  0.5511  1
  Tl  Tl6  2  0.0000  0.0000  0.5000  1
  Hg  Hg7  4  0.0000  0.2503  0.0000  1
]