data_[Fe4Hg4Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8322]
_cell_length_b [6.5600]
_cell_length_c [6.6046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [FeHgSeO]
_chemical_formula_sum '[Fe4 Hg4 Se4 O4]'
_cell_volume [295.4123]
_cell_formula_units_Z [4]
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
[
  Fe  Fe0  4  0.0048  0.1394  0.3070  1
  Hg  Hg1  4  0.4272  0.1976  0.6190  1
  Se  Se2  4  0.2816  0.6026  0.6307  1
  O  O3  4  0.1024  0.1403  0.6239  1
]