data_[Mg4Si4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3866]
_cell_length_b [3.7195]
_cell_length_c [7.4017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgSiHg]
_chemical_formula_sum '[Mg4 Si4 Hg4]'
_cell_volume [257.1383]
_cell_formula_units_Z [4]
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  0.1418  0.5000  0.2912  1
  Mg  Mg1  2  0.4159  0.5000  0.9135  1
  Si  Si2  2  0.1415  0.5000  0.9258  1
  Si  Si3  2  0.1445  0.0000  0.7262  1
  Hg  Hg4  2  0.3520  0.0000  0.5731  1
  Hg  Hg5  2  0.4372  0.5000  0.3089  1
]