data_SbMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.13
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   103.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoOs2
_chemical_formula_sum   'Sb1 Mo1 Os2'
_cell_volume   66.2
_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
  Sb  Sb3  1  0.72  0.06  0.89  1.0
  Mo  Mo0  1  0.24  0.0  0.2  1.0
  Os  Os1  1  0.16  0.06  0.07  1.0
  Os  Os2  1  0.6  0.0  0.17  1.0

data_SbMoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.13
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   103.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoOs2
_chemical_formula_sum   'Sb1 Mo1 Os2'
_cell_volume   66.2
_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
  Sb  Sb0  1  0.72  0.06  0.89  1.0
  Mo  Mo1  1  0.24  0.0  0.2  1.0
  Os  Os2  1  0.16  0.06  0.07  1.0
  Os  Os3  1  0.6  0.0  0.17  1.0

Sb Mo Os Os
Sb Mo Os Os 0 2 + o + 1 2 o o o 1 3 o o o 2 3 o o o 