data_[Zr16Sc4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1840]
_cell_length_b [5.7599]
_cell_length_c [10.5142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4ScZn]
_chemical_formula_sum '[Zr16 Sc4 Zn4]'
_cell_volume [525.9664]
_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
[
  Zr  Zr0  8  0.0737  0.2396  0.9650  1.0
  Zr  Zr1  8  0.1865  0.4894  0.7460  1.0
  Sc  Sc2  4  0.2500  0.2500  0.5000  1.0
  Zn  Zn3  4  0.0000  0.1034  0.2500  1.0
]