data_[Ca4Be4Pd4Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.7552]
_cell_length_b [9.0257]
_cell_length_c [11.1469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaBePdAu6]
_chemical_formula_sum '[Ca4 Be4 Pd4 Au24]'
_cell_volume [679.6339]
_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  0.0000  0.2500  0.2836  1
  Be  Be1  4  0.0000  0.0000  0.5000  1
  Pd  Pd2  4  0.2500  0.2500  0.7500  1
  Au  Au3  16  0.2152  0.4899  0.1252  1
  Au  Au4  4  0.0000  0.2500  0.5580  1
  Au  Au5  4  0.0000  0.2500  0.9972  1
]