data_ScU2(B2C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScU2(B2C)3
_chemical_formula_sum   'Sc1 U2 B6 C3'
_cell_volume   124.42
_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  Sc9  1  0.0  0.0  0.0  1.0
  U  U10  1  0.25  0.88  0.0  1.0
  U  U11  1  0.0  0.76  0.0  1.0
  B  B0  1  0.77  0.0  0.7  1.0
  B  B1  1  0.74  0.0  0.7  1.0
  B  B2  1  0.88  0.53  0.7  1.0
  B  B3  1  0.12  0.53  0.7  1.0
  B  B4  1  0.37  0.11  0.7  1.0
  B  B5  1  0.63  0.11  0.7  1.0
  C  C6  1  0.25  0.0  0.7  1.0
  C  C7  1  0.63  0.82  0.7  1.0
  C  C8  1  0.37  0.82  0.7  1.0

data_ScU2(B2C)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScU2(B2C)3
_chemical_formula_sum   'Sc1 U2 B6 C3'
_cell_volume   124.42
_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  0.0  0.0  1.0
  U  U1  1  0.0  -0.0  0.76  1.0
  U  U2  1  0.0  0.25  0.88  1.0
  B  B3  1  0.7  0.12  0.53  1.0
  B  B4  1  0.7  0.37  0.11  1.0
  B  B5  1  0.7  0.63  0.11  1.0
  B  B6  1  0.7  0.74  0.0  1.0
  B  B7  1  0.7  0.77  0.0  1.0
  B  B8  1  0.7  0.88  0.53  1.0
  C  C9  1  0.7  0.25  0.0  1.0
  C  C10  1  0.7  0.37  0.82  1.0
  C  C11  1  0.7  0.63  0.82  1.0

Sc U U B B B B B B C C C