data_FeSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.98
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   102.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Os
_chemical_formula_sum   'Fe1 Sb2 Os1'
_cell_volume   74.16
_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  0.86  0.0  0.2  1.0
  Sb  Sb2  1  0.51  0.0  0.21  1.0
  Sb  Sb3  1  0.73  0.49  0.28  1.0
  Os  Os1  1  0.37  0.49  0.26  1.0

data_FeSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.75
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Os
_chemical_formula_sum   'Fe1 Sb2 Os1'
_cell_volume   74.16
_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  0.14  0.8  0.0  1.0
  Sb  Sb1  1  0.27  0.72  0.51  1.0
  Sb  Sb2  1  0.49  0.79  0.0  1.0
  Os  Os3  1  0.63  0.74  0.51  1.0

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