data_[In2Ga2Hg8]
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 [P2_1/m]
_cell_length_a [6.4733]
_cell_length_b [7.0693]
_cell_length_c [7.0630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InGaHg4]
_chemical_formula_sum '[In2 Ga2 Hg8]'
_cell_volume [320.2213]
_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  0.0331  0.2500  0.5192  1.0
  Ga  Ga1  2  0.2613  0.7500  0.8688  1.0
  Hg  Hg2  4  0.1720  0.0032  0.1802  1.0
  Hg  Hg3  2  0.3618  0.2500  0.8622  1.0
  Hg  Hg4  2  0.4709  0.7500  0.5321  1.0
]