data_[Sc4Zn24Cu4Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.8118]
_cell_length_b [8.4966]
_cell_length_c [10.1839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ScZn6CuNi]
_chemical_formula_sum '[Sc4 Zn24 Cu4 Ni4]'
_cell_volume [589.4126]
_cell_formula_units_Z [4]
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  0.0000  0.2500  0.8056  1
  Zn  Zn1  16  0.1937  0.0157  0.6289  1
  Zn  Zn2  4  0.0000  0.2500  0.0853  1
  Zn  Zn3  4  0.0000  0.2500  0.4800  1
  Cu  Cu4  4  0.2500  0.2500  0.2500  1
  Ni  Ni5  4  0.0000  0.0000  0.0000  1
]