data_[Be2Zn4Pd16]
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 [C2/m]
_cell_length_a [13.8172]
_cell_length_b [4.3820]
_cell_length_c [5.7140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be(ZnPd4)2]
_chemical_formula_sum '[Be2 Zn4 Pd16]'
_cell_volume [324.5482]
_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  2  0.0000  0.5000  0.0000  1.0
  Zn  Zn1  4  0.1923  0.0000  0.6821  1.0
  Pd  Pd2  4  0.0177  0.0000  0.7603  1.0
  Pd  Pd3  4  0.1078  0.5000  0.4153  1.0
  Pd  Pd4  4  0.1480  0.5000  0.9208  1.0
  Pd  Pd5  4  0.1814  0.0000  0.2257  1.0
]