data_[Cr1Ag3Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1471]
_cell_length_b [4.1471]
_cell_length_c [16.5849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cr(AgAu4)3]
_chemical_formula_sum '[Cr1 Ag3 Au12]'
_cell_volume [285.2288]
_cell_formula_units_Z [1]
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
[
  Cr  Cr0  1  0.0000  0.0000  0.0000  1
  Ag  Ag1  2  0.0000  0.0000  0.2489  1
  Ag  Ag2  1  0.0000  0.0000  0.5000  1
  Au  Au3  4  0.0000  0.5000  0.1218  1
  Au  Au4  4  0.0000  0.5000  0.3744  1
  Au  Au5  2  0.5000  0.5000  0.2482  1
  Au  Au6  1  0.5000  0.5000  0.0000  1
  Au  Au7  1  0.5000  0.5000  0.5000  1
]