data_[In2Ga1Sn1Hg6]
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 [P1]
_cell_length_a [6.4381]
_cell_length_b [6.8884]
_cell_length_c [6.8912]
_cell_angle_alpha [81.0891]
_cell_angle_beta [66.0154]
_cell_angle_gamma [74.9813]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In2GaSnHg6]
_chemical_formula_sum '[In2 Ga1 Sn1 Hg6]'
_cell_volume [269.2605]
_cell_formula_units_Z [1]
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  1  0.5267  0.6237  0.5279  1.0
  In  In1  1  0.9535  0.0848  0.1478  1.0
  Ga  Ga2  1  0.0124  0.8395  0.8071  1.0
  Sn  Sn3  1  0.4049  0.2953  0.3571  1.0
  Hg  Hg4  1  0.0219  0.7059  0.4269  1.0
  Hg  Hg5  1  0.1896  0.4644  0.0066  1.0
  Hg  Hg6  1  0.4268  0.0273  0.7390  1.0
  Hg  Hg7  1  0.5188  0.9069  0.1447  1.0
  Hg  Hg8  1  0.7202  0.5048  0.9264  1.0
  Hg  Hg9  1  0.8869  0.2089  0.5784  1.0
]