data_ScBP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.88
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBP
_chemical_formula_sum   'Sc2 B2 P2'
_cell_volume   89.77
_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
  Sc  Sc4  1  0.42  0.0  0.58  1.0
  Sc  Sc5  1  0.0  0.44  0.23  1.0
  B  B0  1  0.0  0.0  0.78  1.0
  B  B1  1  0.42  0.44  0.03  1.0
  P  P2  1  0.42  0.44  0.93  1.0
  P  P3  1  0.0  0.0  0.88  1.0

data_ScBP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.81
_cell_length_b   4.83
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScBP
_chemical_formula_sum   'Sc2 B2 P2'
_cell_volume   89.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.18  0.21  0.78  1.0
  B  B1  2  0.38  0.79  0.78  1.0
  P  P2  2  0.47  0.79  0.78  1.0

Sc Sc B B P P
Sc Sc B B P P 0 5 o o o 0 2 o o o 0 4 o o o 1 5 o o - 1 3 o o o 1 4 o o - 2 5 o o o 3 4 o o - 