data_[Hg2Os2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.9106]
_cell_length_b [5.4187]
_cell_length_c [10.6302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [HgOsSe2]
_chemical_formula_sum '[Hg2 Os2 Se4]'
_cell_volume [167.6560]
_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
[
  Hg  Hg0  2  0.0000  0.0000  0.5281  1
  Os  Os1  2  0.0000  0.5000  0.7592  1
  Se  Se2  2  0.0000  0.0000  0.9405  1
  Se  Se3  2  0.0000  0.5000  0.2722  1
]