data_FeSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   4.03
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Os
_chemical_formula_sum   'Fe1 Sb2 Os1'
_cell_volume   70.26
_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  0.43  1.0
  Sb  Sb2  1  0.0  0.0  0.17  1.0
  Sb  Sb3  1  0.59  0.02  0.71  1.0
  Os  Os1  1  0.59  0.02  0.35  1.0

data_FeSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.03
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Os
_chemical_formula_sum   'Fe1 Sb2 Os1'
_cell_volume   70.26
_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  0.43  1.0
  Sb  Sb1  1  0.0  0.0  0.17  1.0
  Sb  Sb2  1  0.59  0.02  0.71  1.0
  Os  Os3  1  0.59  0.02  0.35  1.0

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