data_[Mg2Tl4In4Hg10]
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 [P4/mbm]
_cell_length_a [12.0907]
_cell_length_b [12.0907]
_cell_length_c [3.8158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [MgTl2In2Hg5]
_chemical_formula_sum '[Mg2 Tl4 In4 Hg10]'
_cell_volume [557.8084]
_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  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1663  0.6663  0.0000  1.0
  In  In2  4  0.1426  0.3574  0.0000  1.0
  Hg  Hg3  8  0.0405  0.1870  0.5000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5000  1.0
]