data_HgOs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   21.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs5
_chemical_formula_sum   'Hg1 Os5'
_cell_volume   91.33
_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  Hg0  1  0.21  0.0  0.69  1.0
  Os  Os1  1  0.0  0.0  0.27  1.0
  Os  Os2  1  0.21  0.0  0.77  1.0
  Os  Os3  1  0.0  0.0  0.31  1.0
  Os  Os4  1  0.21  0.0  0.92  1.0
  Os  Os5  1  0.0  0.0  0.0  1.0

data_HgOs5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.43
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   100.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs5
_chemical_formula_sum   'Hg1 Os5'
_cell_volume   91.33
_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  Hg0  1  0.31  0.21  0.31  1.0
  Os  Os1  1  0.08  0.21  0.08  1.0
  Os  Os2  1  0.23  0.21  0.23  1.0
  Os  Os3  1  0.69  0.0  0.69  1.0
  Os  Os4  1  0.73  0.0  0.73  1.0
  Os  Os5  1  1.0  0.0  1.0  1.0

Hg Os Os Os Os Os
Hg Os Os Os Os Os 0 2 o o o 1 3 o o o 2 4 o o o 4 5 o o + 