data_ZnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   162.76
_cell_angle_beta   151.86
_cell_angle_gamma   33.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnOs2
_chemical_formula_sum   'Zn2 Os4'
_cell_volume   96.93
_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
  Zn  Zn4  1  0.0  0.08  0.68  1.0
  Zn  Zn5  1  0.33  0.08  0.81  1.0
  Os  Os0  1  0.0  0.08  0.6  1.0
  Os  Os1  1  0.0  0.08  0.14  1.0
  Os  Os2  1  0.33  0.08  0.34  1.0
  Os  Os3  1  0.33  0.08  0.88  1.0

data_ZnOs2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.65
_cell_length_b   4.3
_cell_length_c   8.85
_cell_angle_alpha   104.07
_cell_angle_beta   98.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnOs2
_chemical_formula_sum   'Zn2 Os4'
_cell_volume   96.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.1  0.93  0.1  1.0
  Os  Os1  2  0.03  0.86  0.03  1.0
  Os  Os2  2  0.44  0.6  0.44  1.0

Zn Zn Os Os Os Os