data_[Mg6In4Hg8]
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 [C2/m]
_cell_length_a [12.6434]
_cell_length_b [3.8514]
_cell_length_c [8.8947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3(InHg2)2]
_chemical_formula_sum '[Mg6 In4 Hg8]'
_cell_volume [428.2994]
_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  0.1515  0.5000  0.5589  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.1872  0.5000  0.2262  1
  Hg  Hg3  4  0.0204  0.0000  0.3353  1
  Hg  Hg4  4  0.1478  0.5000  0.8855  1
]