data_[In3Sn4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.1936]
_cell_length_b [8.2425]
_cell_length_c [11.5683]
_cell_angle_alpha [91.3699]
_cell_angle_beta [97.5657]
_cell_angle_gamma [95.9575]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In3(SnHg)4]
_chemical_formula_sum '[In3 Sn4 Hg4]'
_cell_volume [300.0163]
_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  2  0.3427  0.2026  0.1866  1
  In  In1  1  0.0000  0.5000  0.0000  1
  Sn  Sn2  2  0.1092  0.0591  0.6375  1
  Sn  Sn3  2  0.2515  0.4273  0.7345  1
  Hg  Hg4  2  0.0569  0.6818  0.5498  1
  Hg  Hg5  2  0.3537  0.1461  0.9166  1
]