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 [3.4564]
_cell_length_b [8.3610]
_cell_length_c [8.3611]
_cell_angle_alpha [93.6736]
_cell_angle_beta [90.5727]
_cell_angle_gamma [100.8362]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgGaHg3]
_chemical_formula_sum '[Mg2 Ga2 Hg6]'
_cell_volume [236.7728]
_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  0.4021  0.7938  0.0445  1.0
  Ga  Ga1  2  0.2051  0.3875  0.4083  1.0
  Hg  Hg2  2  0.0359  0.0810  0.2081  1.0
  Hg  Hg3  2  0.2259  0.4690  0.8300  1.0
  Hg  Hg4  2  0.4012  0.8244  0.4088  1.0
]