data_[Be4Cu2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8121]
_cell_length_b [8.1628]
_cell_length_c [3.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2CuPd8]
_chemical_formula_sum '[Be4 Cu2 Pd16]'
_cell_volume [340.1944]
_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  0.1297  0.0000  0.5657  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.0959  0.2531  0.7789  1
  Pd  Pd3  4  0.0913  0.5000  0.2896  1
  Pd  Pd4  4  0.2348  0.0000  0.1324  1
]