data_[Mg4In10Hg24]
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 [16.6548]
_cell_length_b [7.3965]
_cell_length_c [9.3183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2In5Hg12]
_chemical_formula_sum '[Mg4 In10 Hg24]'
_cell_volume [1105.2253]
_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  0.2707  0.0000  1.0
  In  In1  4  0.1530  0.5000  0.8071  1.0
  In  In2  4  0.2264  0.5000  0.3084  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  8  0.1444  0.2699  0.5292  1.0
  Hg  Hg5  8  0.1760  0.2133  0.0623  1.0
  Hg  Hg6  4  0.0335  0.5000  0.2697  1.0
  Hg  Hg7  4  0.0608  0.0000  0.2335  1.0
]