data_Si2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   116.06
_cell_angle_beta   116.06
_cell_angle_gamma   96.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2P
_chemical_formula_sum   'Si4 P2'
_cell_volume   92.01
_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  0.87  0.77  0.0  1.0
  Si  Si3  1  0.77  0.87  0.3  1.0
  Si  Si4  1  0.5  0.87  0.0  1.0
  Si  Si5  1  0.13  0.77  0.3  1.0
  P  P0  1  0.0  0.0  0.96  1.0
  P  P1  1  0.0  0.0  0.65  1.0

data_Si2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   96.97
_cell_angle_beta   116.06
_cell_angle_gamma   116.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2P
_chemical_formula_sum   'Si4 P2'
_cell_volume   92.01
_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  0.5  0.13  1.0
  Si  Si1  1  0.0  0.13  0.23  1.0
  Si  Si2  1  0.3  0.53  0.44  1.0
  Si  Si3  1  0.3  0.17  0.53  1.0
  P  P4  1  0.65  0.65  0.65  1.0
  P  P5  1  0.96  0.96  0.96  1.0

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