data_[Sc8Al2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2461]
_cell_length_b [3.3118]
_cell_length_c [8.0752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc4AlCu]
_chemical_formula_sum '[Sc8 Al2 Cu2]'
_cell_volume [251.7152]
_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  2  0.0876  0.0000  0.6865  1
  Sc  Sc1  2  0.1655  0.5000  0.4080  1
  Sc  Sc2  2  0.3567  0.5000  0.1168  1
  Sc  Sc3  2  0.3936  0.0000  0.7960  1
  Al  Al4  2  0.1249  0.0000  0.0802  1
  Cu  Cu5  2  0.3750  0.0000  0.4125  1
]