data_[Be2Fe4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9358]
_cell_length_b [4.3852]
_cell_length_c [5.6363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be(FePd4)2]
_chemical_formula_sum '[Be2 Fe4 Pd16]'
_cell_volume [319.5253]
_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
  Fe  Fe1  4  0.1866  0.0000  0.6817  1
  Pd  Pd2  4  0.0118  0.0000  0.7560  1
  Pd  Pd3  4  0.1188  0.5000  0.4058  1
  Pd  Pd4  4  0.1437  0.5000  0.9091  1
  Pd  Pd5  4  0.1849  0.0000  0.2173  1
]