data_Fe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Os
_chemical_formula_sum   'Fe4 Os2'
_cell_volume   98.65
_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
  Fe  Fe0  1  0.6  0.6  0.0  1.0
  Fe  Fe1  1  0.75  0.75  0.0  1.0
  Fe  Fe2  1  0.28  0.07  0.72  1.0
  Fe  Fe3  1  0.07  0.28  0.72  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0
  Os  Os5  1  0.67  0.67  0.72  1.0

data_Fe2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2Os
_chemical_formula_sum   'Fe8 Os4'
_cell_volume   197.3
_cell_formula_units_Z   4
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
  Fe  Fe0  4  0.17  0.1  0.72  1.0
  Fe  Fe1  2  0.1  0.5  -0.0  1.0
  Fe  Fe2  2  0.25  0.5  -0.0  1.0
  Os  Os3  2  0.0  0.0  0.0  1.0
  Os  Os4  2  0.17  0.5  0.72  1.0

Fe Fe Fe Fe Os Os
Fe Fe Fe Fe Os Os 0 5 o o - 0 1 o o o 1 5 o o - 1 4 + + o 2 4 o o + 2 3 o o o 3 4 o o + 