data_SiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48
_cell_length_b   9.48
_cell_length_c   9.48
_cell_angle_alpha   160.99
_cell_angle_beta   160.99
_cell_angle_gamma   27.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP2
_chemical_formula_sum   'Si2 P4'
_cell_volume   90.45
_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  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.0  0.57  0.61  1.0
  P  P0  1  0.0  0.0  0.69  1.0
  P  P1  1  0.57  0.0  0.14  1.0
  P  P2  1  0.0  0.0  0.75  1.0
  P  P3  1  0.57  0.0  0.08  1.0

data_SiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   9.48
_cell_angle_alpha   99.51
_cell_angle_beta   99.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP2
_chemical_formula_sum   'Si2 P4'
_cell_volume   90.45
_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  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.04  0.61  0.04  1.0
  P  P2  1  0.08  0.52  0.52  1.0
  P  P3  1  0.14  0.57  0.57  1.0
  P  P4  1  0.69  0.69  0.69  1.0
  P  P5  1  0.75  0.75  0.75  1.0

Si Si P P P P