data_SnP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   32.84
_cell_angle_beta   32.84
_cell_angle_gamma   32.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnP3
_chemical_formula_sum   'Sn1 P3'
_cell_volume   73.23
_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  0.0  0.0  0.28  1.0
  P  P0  1  0.0  0.0  0.86  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.69  1.0

data_SnP3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   3.7
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   109.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnP3
_chemical_formula_sum   'Sn2 P6'
_cell_volume   146.45
_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+1/2, y+1/2, z'
  4  '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
  Sn  Sn0  2  0.0  0.0  0.72  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.14  1.0
  P  P3  2  0.0  0.0  0.31  1.0

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