data_[Mg2In8Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.2646]
_cell_length_b [9.2646]
_cell_length_c [6.2816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [MgIn4Hg5]
_chemical_formula_sum '[Mg2 In8 Hg10]'
_cell_volume [539.1680]
_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  0.1834  1.0
  In  In1  8  0.0739  0.3077  0.4573  1.0
  Hg  Hg2  8  0.0995  0.2613  0.9610  1.0
  Hg  Hg3  2  0.0000  0.0000  0.6537  1.0
]