data_ZnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   6.7
_cell_angle_alpha   95.93
_cell_angle_beta   95.93
_cell_angle_gamma   60.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnOs2
_chemical_formula_sum   'Zn1 Os2'
_cell_volume   43.66
_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  Zn2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.19  0.0  0.36  1.0
  Os  Os1  1  0.76  0.0  0.29  1.0

data_ZnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   6.7
_cell_angle_alpha   84.07
_cell_angle_beta   84.07
_cell_angle_gamma   60.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnOs2
_chemical_formula_sum   'Zn1 Os2'
_cell_volume   43.66
_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
  Os  Os1  1  0.24  0.0  0.29  1.0
  Os  Os2  1  0.81  0.0  0.36  1.0

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