data_[Sb4Pd14Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6675]
_cell_length_b [9.5500]
_cell_length_c [5.1014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb2Pd7Au2]
_chemical_formula_sum '[Sb4 Pd14 Au4]'
_cell_volume [387.6756]
_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
[
  Sb  Sb0  4  0.0000  0.2696  0.0000  1
  Pd  Pd1  8  0.1703  0.2436  0.6811  1
  Pd  Pd2  4  0.1071  0.5000  0.3215  1
  Pd  Pd3  2  0.0000  0.0000  0.5000  1
  Au  Au4  4  0.1956  0.0000  0.0817  1
]