data_HgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs2
_chemical_formula_sum   'Hg2 Os4'
_cell_volume   104.13
_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  0.0  0.0  0.79  1.0
  Hg  Hg1  1  0.0  0.0  0.6  1.0
  Os  Os2  1  0.0  0.51  0.48  1.0
  Os  Os3  1  0.0  0.51  0.1  1.0
  Os  Os4  1  0.17  0.25  0.29  1.0
  Os  Os5  1  0.17  0.25  0.9  1.0

data_HgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs2
_chemical_formula_sum   'Hg2 Os4'
_cell_volume   104.13
_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  0.0  0.0  0.6  1.0
  Hg  Hg1  1  0.0  0.0  0.79  1.0
  Os  Os2  1  -0.0  0.51  0.1  1.0
  Os  Os3  1  -0.0  0.51  0.48  1.0
  Os  Os4  1  0.17  0.25  0.29  1.0
  Os  Os5  1  0.17  0.25  0.9  1.0

Hg Hg Os Os Os Os