data_[Be4Zn4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9162]
_cell_length_b [2.8648]
_cell_length_c [16.7213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BeZnPd4]
_chemical_formula_sum '[Be4 Zn4 Pd16]'
_cell_volume [331.3102]
_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
[
  Be  Be0  4  0.2457  0.7500  0.5487  1
  Zn  Zn1  4  0.2260  0.7500  0.3170  1
  Pd  Pd2  4  0.0112  0.2500  0.9298  1
  Pd  Pd3  4  0.0344  0.2500  0.2144  1
  Pd  Pd4  4  0.1244  0.2500  0.4480  1
  Pd  Pd5  4  0.1470  0.2500  0.6523  1
]