data_[Mg4Tl2In4Hg14]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3191]
_cell_length_b [8.2726]
_cell_length_c [10.8612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2TlIn2Hg7]
_chemical_formula_sum '[Mg4 Tl2 In4 Hg14]'
_cell_volume [619.8557]
_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  4  0.0000  0.2776  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.2019  0.5000  0.3211  1.0
  Hg  Hg3  8  0.1454  0.2712  0.8126  1.0
  Hg  Hg4  4  0.1669  0.0000  0.3691  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]