data_HgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   7.34
_cell_angle_alpha   108.36
_cell_angle_beta   108.36
_cell_angle_gamma   30.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs2
_chemical_formula_sum   'Hg2 Os4'
_cell_volume   99.93
_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  1  0.51  0.0  0.09  1.0
  Hg  Hg1  1  0.4  0.0  0.85  1.0
  Os  Os2  1  0.16  0.0  0.59  1.0
  Os  Os3  1  0.13  0.0  0.72  1.0
  Os  Os4  1  0.79  0.0  0.22  1.0
  Os  Os5  1  0.76  0.0  0.35  1.0

data_HgOs2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.79
_cell_length_b   5.34
_cell_length_c   7.34
_cell_angle_alpha   108.36
_cell_angle_beta   90.0
_cell_angle_gamma   105.15
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgOs2
_chemical_formula_sum   'Hg2 Os4'
_cell_volume   99.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.45  0.88  1.0
  Os  Os1  2  0.0  0.17  0.75  1.0
  Os  Os2  2  0.0  0.2  0.62  1.0

Hg Hg Os Os Os Os