data_ScB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.47
_cell_angle_alpha   108.35
_cell_angle_beta   108.35
_cell_angle_gamma   47.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2P
_chemical_formula_sum   'Sc1 B2 P1'
_cell_volume   45.15
_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  0.74  0.0  0.1  1.0
  B  B0  1  0.97  0.0  0.46  1.0
  B  B1  1  0.51  0.0  0.74  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_ScB2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.83
_cell_length_c   4.47
_cell_angle_alpha   108.35
_cell_angle_beta   90.0
_cell_angle_gamma   113.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2P
_chemical_formula_sum   'Sc1 B2 P1'
_cell_volume   45.15
_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  0.0  0.26  0.9  1.0
  B  B1  1  0.0  0.03  0.54  1.0
  B  B2  1  0.0  0.49  0.26  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Sc B B P