data_[Mg2Ga2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5221]
_cell_length_b [8.1182]
_cell_length_c [8.3926]
_cell_angle_alpha [84.2826]
_cell_angle_beta [89.6698]
_cell_angle_gamma [78.3455]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgGaHg3]
_chemical_formula_sum '[Mg2 Ga2 Hg6]'
_cell_volume [233.8312]
_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  0.0987  0.7925  0.4551  1
  Ga  Ga1  2  0.2937  0.3901  0.0914  1
  Hg  Hg2  2  0.1004  0.8223  0.0927  1
  Hg  Hg3  2  0.2744  0.4681  0.6708  1
  Hg  Hg4  2  0.4671  0.0779  0.2920  1
]