data_[Sc10Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1277]
_cell_length_b [3.3365]
_cell_length_c [7.7144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc5Cu]
_chemical_formula_sum '[Sc10 Cu2]'
_cell_volume [264.7779]
_cell_formula_units_Z [2]
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  4  0.1394  0.0000  0.3629  1.0
  Sc  Sc1  4  0.1701  0.0000  0.7982  1.0
  Sc  Sc2  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  2  0.0000  0.5000  0.5000  1.0
]