data_[In6Hg4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6749]
_cell_length_b [4.0681]
_cell_length_c [6.9000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In3(HgSe)2]
_chemical_formula_sum '[In6 Hg4 Se4]'
_cell_volume [413.9794]
_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  0.2247  0.5000  0.7321  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.0906  0.0000  0.4547  1
  Se  Se3  4  0.1513  0.5000  0.0559  1
]