data_[Sc8Zn8Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3136]
_cell_length_b [5.1482]
_cell_length_c [8.8302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ScZnCu]
_chemical_formula_sum '[Sc8 Zn8 Cu8]'
_cell_volume [377.9320]
_cell_formula_units_Z [8]
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  0.2000  0.0000  0.3352  1.0
  Sc  Sc1  4  0.3138  0.0000  0.6675  1.0
  Zn  Zn2  4  0.0000  0.2466  0.5845  1.0
  Zn  Zn3  2  0.0000  0.0000  0.8313  1.0
  Zn  Zn4  2  0.5000  0.0000  0.1653  1.0
  Cu  Cu5  4  0.2504  0.0000  1.0000  1.0
  Cu  Cu6  4  0.5000  0.2482  0.4147  1.0
]