data_[Li4Be2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4894]
_cell_length_b [5.4593]
_cell_length_c [6.9484]
_cell_angle_alpha [86.1472]
_cell_angle_beta [75.6808]
_cell_angle_gamma [84.9537]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2BePd3]
_chemical_formula_sum '[Li4 Be2 Pd6]'
_cell_volume [164.1839]
_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
[
  Li  Li0  2  0.2793  0.6952  0.4207  1.0
  Li  Li1  2  0.3024  0.2292  0.3246  1.0
  Be  Be2  2  0.1124  0.1684  0.0204  1.0
  Pd  Pd3  2  0.1555  0.5120  0.7868  1.0
  Pd  Pd4  2  0.1928  0.0262  0.6962  1.0
  Pd  Pd5  2  0.3788  0.7658  0.0517  1.0
]