data_[In2Ga2Hg28]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.8176]
_cell_length_b [6.9011]
_cell_length_c [11.4967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [InGaHg14]
_chemical_formula_sum '[In2 Ga2 Hg28]'
_cell_volume [858.2645]
_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
[
  In  In0  2  0.5000  0.0000  0.8187  1
  Ga  Ga1  2  0.5000  0.0000  0.3151  1
  Hg  Hg2  8  0.2505  0.2484  0.4146  1
  Hg  Hg3  4  0.0000  0.2441  0.1014  1
  Hg  Hg4  4  0.2439  0.0000  0.6640  1
  Hg  Hg5  4  0.2557  0.0000  0.1658  1
  Hg  Hg6  4  0.5000  0.2457  0.5714  1
  Hg  Hg7  2  0.0000  0.0000  0.3521  1
  Hg  Hg8  2  0.0000  0.0000  0.8506  1
]