data_SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP
_chemical_formula_sum   'Si2 P2'
_cell_volume   68.36
_cell_formula_units_Z   2
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  Si2  1  0.72  0.14  0.59  1.0
  Si  Si3  1  0.72  0.86  0.86  1.0
  P  P0  1  0.72  0.79  0.59  1.0
  P  P1  1  0.72  0.21  0.86  1.0

data_SiP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.43
_cell_length_b   3.45
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SiP
_chemical_formula_sum   'Si2 P2'
_cell_volume   68.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Si0  2  0.14  0.14  0.14  1.0
  P  P1  2  0.21  0.86  0.21  1.0

Si Si P P
Si Si P P 0 3 o o o 1 2 o o o 