data_[Ca4Sb4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5175]
_cell_length_b [5.6815]
_cell_length_c [11.2041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaSbAu5]
_chemical_formula_sum '[Ca4 Sb4 Au20]'
_cell_volume [605.8509]
_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
[
  Ca  Ca0  4  0.2437  0.7500  0.5519  1
  Sb  Sb1  4  0.1263  0.7500  0.8443  1
  Au  Au2  8  0.0975  0.0048  0.3039  1
  Au  Au3  4  0.0755  0.2500  0.5242  1
  Au  Au4  4  0.1044  0.7500  0.0810  1
  Au  Au5  4  0.1493  0.2500  0.7738  1
]