data_[Be5Pd4Au1]
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 [P4/mmm]
_cell_length_a [2.8672]
_cell_length_b [2.8672]
_cell_length_c [14.3469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Be5Pd4Au]
_chemical_formula_sum '[Be5 Pd4 Au1]'
_cell_volume [117.9423]
_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
[
  Be  Be0  2  0.5000  0.5000  0.1125  1.0
  Be  Be1  2  0.5000  0.5000  0.3049  1.0
  Be  Be2  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.2072  1.0
  Pd  Pd4  2  0.0000  0.0000  0.4029  1.0
  Au  Au5  1  0.0000  0.0000  0.0000  1.0
]