data_[Be4Zn2Pd16]
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 [13.8832]
_cell_length_b [3.9999]
_cell_length_c [5.9535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2ZnPd8]
_chemical_formula_sum '[Be4 Zn2 Pd16]'
_cell_volume [310.3806]
_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  0.1929  0.0000  0.6806  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0356  0.0000  0.7547  1.0
  Pd  Pd3  4  0.0999  0.5000  0.4798  1.0
  Pd  Pd4  4  0.1775  0.5000  0.9603  1.0
  Pd  Pd5  4  0.1851  0.0000  0.2877  1.0
]