data_FeSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   130.63
_cell_angle_beta   130.63
_cell_angle_gamma   72.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbOs2
_chemical_formula_sum   'Fe1 Sb1 Os2'
_cell_volume   59.01
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.8  1.0
  Os  Os1  1  0.97  0.0  0.9  1.0
  Os  Os2  1  0.0  0.97  0.9  1.0

data_FeSbOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   126.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeSbOs2
_chemical_formula_sum   'Fe2 Sb2 Os4'
_cell_volume   118.02
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.8  1.0
  Os  Os2  4  0.02  0.98  0.93  1.0

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