data_SnPOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.82
_cell_angle_alpha   99.75
_cell_angle_beta   99.75
_cell_angle_gamma   39.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPOs2
_chemical_formula_sum   'Sn1 P1 Os2'
_cell_volume   69.94
_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
  Sn  Sn3  1  0.33  0.0  0.45  1.0
  P  P2  1  0.49  0.0  0.87  1.0
  Os  Os0  1  0.16  0.0  0.23  1.0
  Os  Os1  1  0.82  0.0  0.04  1.0

data_SnPOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.38
_cell_length_c   5.82
_cell_angle_alpha   99.75
_cell_angle_beta   90.0
_cell_angle_gamma   109.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPOs2
_chemical_formula_sum   'Sn1 P1 Os2'
_cell_volume   69.94
_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
  Sn  Sn0  1  0.0  0.67  0.55  1.0
  P  P1  1  0.0  0.51  0.13  1.0
  Os  Os2  1  0.0  0.18  0.96  1.0
  Os  Os3  1  0.0  0.84  0.77  1.0

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