[CIF]
data_ScCu2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77216417
_cell_length_b   2.77216417
_cell_length_c   6.57181884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu2B
_chemical_formula_sum   'Sc1 Cu2 B1'
_cell_volume   50.50373239
_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
  B  B0  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu1  1  1.38608208  1.38608208  1.19777379  1
  Cu  Cu2  1  1.38608208  1.38608208  5.37404505  1
  Sc  Sc3  1  0.00000000  0.00000000  3.28590942  1
[/CIF]
