data_SbP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbP2Os
_chemical_formula_sum   'Sb1 P2 Os1'
_cell_volume   71.04
_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  0.0  0.0  0.29  1.0
  P  P1  1  0.0  0.0  0.07  1.0
  P  P2  1  0.51  0.0  0.22  1.0
  Os  Os0  1  0.51  0.0  0.86  1.0

data_SbP2Os
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.02
_cell_length_b   5.24
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   SbP2Os
_chemical_formula_sum   'Sb2 P4 Os2'
_cell_volume   142.07
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Sb  Sb0  2  0.0  0.0  0.29  1.0
  P  P1  2  0.0  0.0  0.07  1.0
  P  P2  2  0.0  0.5  0.22  1.0
  Os  Os3  2  0.0  0.5  0.86  1.0

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