data_SiP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.36
_cell_length_b   2.36
_cell_length_c   17.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP5
_chemical_formula_sum   'Si1 P5'
_cell_volume   97.03
_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
  Si  Si5  1  0.0  0.0  0.0  1.0
  P  P0  1  0.18  0.18  0.83  1.0
  P  P1  1  0.18  0.18  0.55  1.0
  P  P2  1  0.0  0.0  0.72  1.0
  P  P3  1  0.0  0.0  0.65  1.0
  P  P4  1  0.18  0.18  0.69  1.0

data_SiP5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   17.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiP5
_chemical_formula_sum   'Si2 P10'
_cell_volume   194.07
_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+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
  Si  Si0  2  0.0  0.0  0.0  1.0
  P  P1  2  0.0  0.0  0.65  1.0
  P  P2  2  0.0  0.0  0.72  1.0
  P  P3  2  0.18  0.0  0.55  1.0
  P  P4  2  0.18  0.0  0.69  1.0
  P  P5  2  0.18  0.0  0.83  1.0

Si P P P P P
Si P P P P P 0 0 + o o 0 0 o + o 1 3 o o o 1 1 + o o 1 1 o + o 1 5 o o o 2 4 o o o 2 2 + o o 2 2 o + o 2 5 o o o 3 5 o o o 4 5 o o o 