data_[Be4Pd12Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [13.4597]
_cell_length_b [2.8300]
_cell_length_c [9.2900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.1707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2Pd6Au]
_chemical_formula_sum '[Be4 Pd12 Au2]'
_cell_volume [258.0796]
_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
[
  Be  Be0  4  0.0882  0.5000  0.3894  1
  Pd  Pd1  4  0.0292  0.0000  0.8853  1
  Pd  Pd2  4  0.1870  0.5000  0.8355  1
  Pd  Pd3  4  0.2296  0.5000  0.3370  1
  Au  Au4  2  0.0000  0.0000  0.5000  1
]