data_SiBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   7.79
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBP2
_chemical_formula_sum   'Si4 B4 P8'
_cell_volume   236.24
_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  Si12  1  0.34  0.81  0.07  1.0
  Si  Si13  1  0.23  0.98  0.79  1.0
  Si  Si14  1  0.12  0.87  0.07  1.0
  Si  Si15  1  0.45  0.92  0.79  1.0
  B  B0  1  0.39  0.92  0.01  1.0
  B  B1  1  0.18  0.87  0.73  1.0
  B  B2  1  0.18  0.98  0.01  1.0
  B  B3  1  0.4  0.81  0.73  1.0
  P  P4  1  0.5  0.59  0.24  1.0
  P  P5  1  0.07  0.2  0.51  1.0
  P  P6  1  0.28  0.09  0.24  1.0
  P  P7  1  0.29  0.7  0.51  1.0
  P  P8  1  0.27  0.14  0.48  1.0
  P  P9  1  0.3  0.65  0.76  1.0
  P  P10  1  0.06  0.75  0.48  1.0
  P  P11  1  0.51  0.04  0.76  1.0

data_SiBP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.44
_cell_length_b   5.57
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBP2
_chemical_formula_sum   'Si4 B4 P8'
_cell_volume   236.24
_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  0.07  0.12  0.87  1.0
  Si  Si1  1  0.07  0.34  0.81  1.0
  Si  Si2  1  0.79  0.23  0.98  1.0
  Si  Si3  1  0.79  0.45  0.92  1.0
  B  B4  1  0.01  0.18  0.98  1.0
  B  B5  1  0.01  0.39  0.92  1.0
  B  B6  1  0.73  0.18  0.87  1.0
  B  B7  1  0.73  0.4  0.81  1.0
  P  P8  1  0.24  0.28  0.09  1.0
  P  P9  1  0.24  0.5  0.59  1.0
  P  P10  1  0.48  0.06  0.75  1.0
  P  P11  1  0.48  0.27  0.14  1.0
  P  P12  1  0.51  0.07  0.2  1.0
  P  P13  1  0.51  0.29  0.7  1.0
  P  P14  1  0.76  0.3  0.65  1.0
  P  P15  1  0.76  0.51  0.04  1.0

Si Si Si Si B B B B P P P P P P P P