data_[Li1Be3Pd4]
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 [Pmmm]
_cell_length_a [2.8489]
_cell_length_b [4.0611]
_cell_length_c [8.0460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [LiBe3Pd4]
_chemical_formula_sum '[Li1 Be3 Pd4]'
_cell_volume [93.0887]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Be  Be1  2  0.5000  0.0000  0.2478  1
  Be  Be2  1  0.5000  0.5000  0.5000  1
  Pd  Pd3  2  0.0000  0.5000  0.2607  1
  Pd  Pd4  1  0.0000  0.0000  0.0000  1
  Pd  Pd5  1  0.0000  0.0000  0.5000  1
]