data_[Hg4As4Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.3315]
_cell_length_b [6.8666]
_cell_length_c [10.5663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [HgAsSeO]
_chemical_formula_sum '[Hg4 As4 Se4 O4]'
_cell_volume [375.8908]
_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
[
  Hg  Hg0  2  0.0537  0.5100  0.3952  1
  Hg  Hg1  2  0.4862  0.5100  0.5798  1
  As  As2  2  0.0397  0.8524  0.0989  1
  As  As3  2  0.4514  0.8590  0.9114  1
  Se  Se4  2  0.0757  0.1000  0.2729  1
  Se  Se5  2  0.3804  0.1220  0.7477  1
  O  O6  2  0.2419  0.4718  0.0053  1
  O  O7  2  0.2650  0.9747  0.0169  1
]