data_[Mg12Sn4Hg2]
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 [P4_2/mnm]
_cell_length_a [9.4036]
_cell_length_b [9.4036]
_cell_length_c [4.6924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Mg6Sn2Hg]
_chemical_formula_sum '[Mg12 Sn4 Hg2]'
_cell_volume [414.9424]
_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  8  0.0255  0.3316  0.5000  1
  Mg  Mg1  4  0.1337  0.8663  0.0000  1
  Sn  Sn2  4  0.2028  0.2028  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.5000  1
]