data_[In4Hg4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.9718]
_cell_length_b [8.9718]
_cell_length_c [3.4278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [In2Hg2Sb]
_chemical_formula_sum '[In4 Hg4 Sb2]'
_cell_volume [275.9136]
_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  4  0.1888  0.3112  0.0000  1
  Hg  Hg1  4  0.1178  0.6178  0.5000  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
]