data_ScB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.11
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   96.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2P
_chemical_formula_sum   'Sc1 B2 P1'
_cell_volume   48.93
_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  0.8  0.56  0.91  1.0
  B  B0  1  0.34  0.0  0.18  1.0
  B  B1  1  0.36  0.56  0.37  1.0
  P  P2  1  0.93  0.0  0.03  1.0

data_ScB2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.75
_cell_length_c   4.22
_cell_angle_alpha   96.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2P
_chemical_formula_sum   'Sc1 B2 P1'
_cell_volume   48.93
_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  0.44  0.2  0.09  1.0
  B  B1  1  0.0  0.66  0.82  1.0
  B  B2  1  0.44  0.64  0.63  1.0
  P  P3  1  0.0  0.07  0.97  1.0

Sc B B P