data_[In4Ga4Sn4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0950]
_cell_length_b [6.3508]
_cell_length_c [8.6770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InGaSnHg4]
_chemical_formula_sum '[In4 Ga4 Sn4 Hg16]'
_cell_volume [747.1205]
_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
[
  In  In0  4  0.1209  0.5000  0.5866  1.0
  Ga  Ga1  4  0.2451  0.5000  0.9967  1.0
  Sn  Sn2  4  0.1425  0.0000  0.2466  1.0
  Hg  Hg3  8  0.0601  0.2487  0.8647  1.0
  Hg  Hg4  4  0.1176  0.0000  0.5786  1.0
  Hg  Hg5  4  0.1536  0.5000  0.2567  1.0
]