data_[Zr8V4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [5.3653]
_cell_length_b [7.5147]
_cell_length_c [7.4417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Zr2VAu]
_chemical_formula_sum '[Zr8 V4 Au4]'
_cell_volume [300.0399]
_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  4  0.0000  0.0000  0.5107  1
  Zr  Zr1  4  0.2500  0.3754  0.6191  1
  V  V2  4  0.2500  0.1205  0.8692  1
  Au  Au3  4  0.2500  0.2480  0.2510  1
]