[CIF]
data_Ba5Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37019042
_cell_length_b   7.37019042
_cell_length_c   6.81746279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Sc
_chemical_formula_sum   'Ba5 Sc1'
_cell_volume   320.70876234
_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
  Ba  Ba0  1  5.03338908  0.00000000  3.40873140  1
  Ba  Ba1  1  1.16840067  2.02372933  3.40873140  1
  Ba  Ba2  1  -2.51669454  4.35904281  3.40873140  1
  Ba  Ba3  1  3.68509521  2.12759071  0.00000000  1
  Ba  Ba4  1  0.00000000  4.25518143  0.00000000  1
  Sc  Sc5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
