data_SiB2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB2P3
_chemical_formula_sum   'Si1 B2 P3'
_cell_volume   75.4
_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  Si5  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.77  0.34  1.0
  B  B1  1  0.0  0.77  0.89  1.0
  P  P2  1  0.54  0.89  0.62  1.0
  P  P3  1  0.54  0.89  0.17  1.0
  P  P4  1  0.54  0.89  0.06  1.0

data_SiB2P3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB2P3
_chemical_formula_sum   'Si1 B2 P3'
_cell_volume   75.4
_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  Si0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.77  0.34  1.0
  B  B2  1  0.0  0.77  0.89  1.0
  P  P3  1  0.54  0.89  0.06  1.0
  P  P4  1  0.54  0.89  0.17  1.0
  P  P5  1  0.54  0.89  0.62  1.0

Si B B P P P