data_ScBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   142.7
_cell_angle_beta   124.41
_cell_angle_gamma   68.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBP2
_chemical_formula_sum   'Sc1 B1 P2'
_cell_volume   59.43
_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
  Sc  Sc3  1  0.0  0.31  0.42  1.0
  B  B0  1  0.0  0.0  0.27  1.0
  P  P1  1  0.0  0.31  0.32  1.0
  P  P2  1  0.0  0.0  0.22  1.0

data_ScBP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.61
_cell_length_c   4.94
_cell_angle_alpha   117.8
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBP2
_chemical_formula_sum   'Sc1 B1 P2'
_cell_volume   59.43
_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
  Sc  Sc0  1  0.58  0.89  0.89  1.0
  B  B1  1  0.73  0.73  0.73  1.0
  P  P2  1  0.68  0.98  0.98  1.0
  P  P3  1  0.78  0.78  0.78  1.0

Sc B P P
Sc B P P 0 2 o o o 1 3 o o o 