data_[Mg2Sn4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [19.5206]
_cell_length_b [3.2457]
_cell_length_c [9.2318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(SnHg3)2]
_chemical_formula_sum '[Mg2 Sn4 Hg12]'
_cell_volume [571.5907]
_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  0.5000  1
  Sn  Sn1  4  0.1213  0.5000  0.7090  1
  Hg  Hg2  4  0.0133  0.0000  0.8542  1
  Hg  Hg3  4  0.1043  0.5000  0.3644  1
  Hg  Hg4  4  0.2317  0.0000  0.3275  1
]