data_[Zr16Sn4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.8379]
_cell_length_b [5.5492]
_cell_length_c [6.6771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4SnAu]
_chemical_formula_sum '[Zr16 Sn4 Au4]'
_cell_volume [575.0724]
_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  0.0765  0.3911  0.4384  1
  Zr  Zr1  8  0.1548  0.1276  0.1059  1
  Sn  Sn2  4  0.0000  0.1096  0.7500  1
  Au  Au3  4  0.2500  0.2500  0.5000  1
]