data_[Hg2Os6]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.4627]
_cell_length_b [5.5962]
_cell_length_c [5.1289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [HgOs3]
_chemical_formula_sum '[Hg2 Os6]'
_cell_volume [128.0876]
_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  0.6256  1
  Os  Os1  4  0.0000  0.2656  0.1290  1
  Os  Os2  2  0.0000  0.5000  0.6891  1
]