data_[Mg2In4Ga2Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.0013]
_cell_length_b [6.0013]
_cell_length_c [11.8132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [MgIn2GaHg4]
_chemical_formula_sum '[Mg2 In4 Ga2 Hg8]'
_cell_volume [425.4637]
_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
  In  In1  2  0.0000  0.0000  0.0000  1
  In  In2  2  0.0000  0.5000  0.7500  1
  Ga  Ga3  2  0.0000  0.5000  0.2500  1
  Hg  Hg4  4  0.0000  0.0000  0.2562  1
  Hg  Hg5  4  0.0000  0.5000  0.0105  1
]