data_[In4Hg2Bi1Se1]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3516]
_cell_length_b [4.6004]
_cell_length_c [7.5739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [In4Hg2BiSe]
_chemical_formula_sum '[In4 Hg2 Bi1 Se1]'
_cell_volume [238.4540]
_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  0.2391  0.0000  0.7277  1.0
  In  In1  2  0.2445  0.5000  0.2671  1.0
  Hg  Hg2  1  0.5000  0.0000  0.5000  1.0
  Hg  Hg3  1  0.5000  0.5000  0.0000  1.0
  Bi  Bi4  1  0.0000  0.0000  0.0000  1.0
  Se  Se5  1  0.0000  0.5000  0.5000  1.0
]