data_SiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   5.78
_cell_length_c   2.24
_cell_angle_alpha   85.62
_cell_angle_beta   72.7
_cell_angle_gamma   21.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP2
_chemical_formula_sum   'Si1 P2'
_cell_volume   22.66
_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  Si2  1  0.0  0.0  0.0  1.0
  P  P0  1  0.99  0.0  0.8  1.0
  P  P1  1  0.99  0.0  0.58  1.0

data_SiP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   1.99
_cell_length_b   11.39
_cell_length_c   2.24
_cell_angle_alpha   90.0
_cell_angle_beta   116.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiP2
_chemical_formula_sum   'Si2 P4'
_cell_volume   45.31
_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  0.01  0.0  0.2  1.0
  P  P2  2  0.01  0.0  0.42  1.0

Si P P
Si P P 0 1 - o - 1 2 o o o 