data_HgBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiOs2
_chemical_formula_sum   'Hg1 Bi1 Os2'
_cell_volume   73.42
_cell_formula_units_Z   1
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  Hg1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.34  0.34  0.0  1.0
  Os  Os2  1  0.0  0.34  0.67  1.0
  Os  Os3  1  0.34  0.0  0.67  1.0

data_HgBiOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgBiOs2
_chemical_formula_sum   'Hg2 Bi2 Os4'
_cell_volume   146.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Bi  Bi1  2  0.34  0.0  0.0  1.0
  Os  Os2  4  0.17  0.17  0.67  1.0

Hg Bi Os Os
Hg Bi Os Os 0 3 o o - 0 2 o o - 0 1 o o o 1 2 o o - 1 3 o o - 2 3 o o o 