data_ZnFeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeOs2
_chemical_formula_sum   'Zn1 Fe1 Os2'
_cell_volume   53.3
_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  0.77  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.33  0.33  0.75  1.0
  Os  Os2  1  0.33  0.33  0.8  1.0

data_ZnFeOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnFeOs2
_chemical_formula_sum   'Zn2 Fe2 Os4'
_cell_volume   106.61
_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
  Zn  Zn0  2  0.0  0.0  0.77  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.33  0.0  0.75  1.0
  Os  Os3  2  0.33  0.0  0.8  1.0

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