data_[Zn4Cr2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2585]
_cell_length_b [4.9099]
_cell_length_c [7.5928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2CrAu6]
_chemical_formula_sum '[Zn4 Cr2 Au12]'
_cell_volume [310.8461]
_cell_formula_units_Z [2]
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
[
  Zn  Zn0  4  0.2290  0.0000  0.3872  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  Au  Au2  4  0.0579  0.5000  0.7189  1
  Au  Au3  4  0.1008  0.0000  0.9319  1
  Au  Au4  4  0.1774  0.5000  0.1923  1
]