data_ScSiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   145.81
_cell_angle_beta   143.72
_cell_angle_gamma   50.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiB2
_chemical_formula_sum   'Sc1 Si1 B2'
_cell_volume   46.54
_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  Sc2  1  0.53  0.0  0.47  1.0
  Si  Si3  1  0.0  0.0  0.93  1.0
  B  B0  1  0.53  0.0  0.88  1.0
  B  B1  1  0.0  0.0  0.81  1.0

data_ScSiB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.24
_cell_length_c   5.2
_cell_angle_alpha   108.14
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiB2
_chemical_formula_sum   'Sc1 Si1 B2'
_cell_volume   46.54
_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  0.47  0.94  1.0
  Si  Si1  1  0.0  0.93  0.93  1.0
  B  B2  1  0.0  0.81  0.81  1.0
  B  B3  1  0.0  0.88  0.36  1.0

Sc Si B B