data_B9Sb2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B9Sb2P3
_chemical_formula_sum   'B9 Sb2 P3'
_cell_volume   203.61
_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
  B  B0  1  0.57  0.0  0.0  1.0
  B  B1  1  0.72  0.22  0.0  1.0
  B  B2  1  0.28  0.22  0.0  1.0
  B  B3  1  0.57  0.47  0.17  1.0
  B  B4  1  0.85  0.49  0.17  1.0
  B  B5  1  0.29  0.49  0.17  1.0
  B  B6  1  0.0  0.98  0.74  1.0
  B  B7  1  0.28  0.96  0.74  1.0
  B  B8  1  0.72  0.96  0.74  1.0
  Sb  Sb12  1  0.0  0.97  0.75  1.0
  Sb  Sb13  1  0.57  0.48  0.16  1.0
  P  P9  1  0.0  0.0  0.0  1.0
  P  P10  1  0.0  0.97  0.72  1.0
  P  P11  1  0.57  0.48  0.19  1.0

data_B9Sb2P3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B9Sb2P3
_chemical_formula_sum   'B9 Sb2 P3'
_cell_volume   203.61
_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
  B  B0  1  0.0  0.98  0.74  1.0
  B  B1  1  0.28  0.96  0.74  1.0
  B  B2  1  0.28  0.22  0.0  1.0
  B  B3  1  0.29  0.49  0.17  1.0
  B  B4  1  0.57  0.0  0.0  1.0
  B  B5  1  0.57  0.47  0.17  1.0
  B  B6  1  0.72  0.22  0.0  1.0
  B  B7  1  0.72  0.96  0.74  1.0
  B  B8  1  0.85  0.49  0.17  1.0
  Sb  Sb9  1  0.0  0.97  0.75  1.0
  Sb  Sb10  1  0.57  0.48  0.16  1.0
  P  P11  1  0.0  0.0  0.0  1.0
  P  P12  1  0.0  0.97  0.72  1.0
  P  P13  1  0.57  0.48  0.19  1.0

B B B B B B B B B Sb Sb P P P