data_Hg2BiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47
_cell_length_b   10.47
_cell_length_c   10.47
_cell_angle_alpha   18.13
_cell_angle_beta   18.13
_cell_angle_gamma   18.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiOs
_chemical_formula_sum   'Hg2 Bi1 Os1'
_cell_volume   97.1
_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  0.16  1.0
  Hg  Hg2  1  0.0  0.0  0.57  1.0
  Bi  Bi0  1  0.0  0.0  0.14  1.0
  Os  Os3  1  0.0  0.0  0.46  1.0

data_Hg2BiOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   3.3
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   100.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2BiOs
_chemical_formula_sum   'Hg4 Bi2 Os2'
_cell_volume   194.2
_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  0.84  1.0
  Hg  Hg1  2  0.0  0.0  0.43  1.0
  Bi  Bi2  2  0.0  0.0  0.86  1.0
  Os  Os3  2  0.0  0.0  0.54  1.0

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