data_SiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   10.1
_cell_length_c   35.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP2
_chemical_formula_sum   'Si4 P8'
_cell_volume   1260.07
_cell_formula_units_Z   4
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  0.41  0.07  1.0
  Si  Si1  1  0.5  0.7  0.1  1.0
  Si  Si2  1  0.5  0.2  0.12  1.0
  Si  Si3  1  0.0  0.91  0.15  1.0
  P  P4  1  0.0  0.24  0.03  1.0
  P  P5  1  0.5  0.12  0.06  1.0
  P  P6  1  0.5  0.54  0.06  1.0
  P  P7  1  0.0  0.84  0.09  1.0
  P  P8  1  0.0  0.34  0.13  1.0
  P  P9  1  0.5  0.04  0.17  1.0
  P  P10  1  0.5  0.62  0.16  1.0
  P  P11  1  0.0  0.74  0.19  1.0

Si Si Si Si P P P P P P P P 0 6 - o o 0 6 o o o 0 4 o o o 0 8 o o o 1 7 o o o 1 7 + o o 1 6 o o o 1 10 o o o 2 8 o o o 2 8 + o o 2 5 o o o 2 9 o o o 3 9 - + o 3 9 o + o 3 7 o o o 3 11 o o o 4 5 - o o 4 5 o o o 10 11 o o o 10 11 + o o 
data_SiP2
_symmetry_space_group_name_H-M   Pmc2_1
_cell_length_a   3.47
_cell_length_b   35.96
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   26
_chemical_formula_structural   SiP2
_chemical_formula_sum   'Si4 P8'
_cell_volume   1260.07
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z+1/2'
  3  '-x, y, z'
  4  'x, -y, z+1/2'
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  0.46  0.91  1.0
  Si  Si1  2  0.5  0.49  0.2  1.0
  P  P2  2  0.0  0.42  0.74  1.0
  P  P3  2  0.0  0.48  0.34  1.0
  P  P4  2  0.5  0.44  0.04  1.0
  P  P5  2  0.5  0.45  0.62  1.0
