data_[Mg2In4Sn2Hg12]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2344]
_cell_length_b [8.7437]
_cell_length_c [6.9795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgIn2SnHg6]
_chemical_formula_sum '[Mg2 In4 Sn2 Hg12]'
_cell_volume [557.1887]
_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  0.5000  0.0000  1.0
  In  In1  4  0.1583  0.0000  0.1230  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  8  0.1157  0.2523  0.7714  1.0
  Hg  Hg4  4  0.1543  0.5000  0.3964  1.0
]