data_[Mg4In6Hg12]
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 [15.1970]
_cell_length_b [4.1915]
_cell_length_c [9.9929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2(InHg2)3]
_chemical_formula_sum '[Mg4 In6 Hg12]'
_cell_volume [569.3059]
_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  0.1756  0.0000  0.8695  1
  In  In1  4  0.1920  0.5000  0.3660  1
  In  In2  2  0.0000  0.0000  0.5000  1
  Hg  Hg3  4  0.0351  0.0000  0.2097  1
  Hg  Hg4  4  0.1120  0.5000  0.0187  1
  Hg  Hg5  4  0.1631  0.5000  0.6585  1
]