data_ZnHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   5.13
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHg2Os
_chemical_formula_sum   'Zn1 Hg2 Os1'
_cell_volume   73.65
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.67  0.57  0.28  1.0
  Hg  Hg1  1  0.1  0.57  0.82  1.0
  Os  Os2  1  0.39  0.0  0.55  1.0

data_ZnHg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.09
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHg2Os
_chemical_formula_sum   'Zn1 Hg2 Os1'
_cell_volume   73.65
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.33  0.72  0.43  1.0
  Hg  Hg2  1  0.9  0.18  0.43  1.0
  Os  Os3  1  0.61  0.45  0.0  1.0

Zn Hg Hg Os
Zn Hg Hg Os 0 1 - - o 0 1 o - o 0 1 - o o 0 3 - o - 0 3 o o - 0 3 o o o 0 3 - o o 0 0 + o o 0 2 o - - 0 2 o o - 1 3 o o o 1 3 o + o 1 3 + + o 1 2 o o - 1 2 o o o 1 2 + o - 1 2 + o o 1 1 + o o 2 2 + o o 2 3 o + o 2 3 o o o 2 3 - + o 3 3 + o o 