data_[Li4Cu4Pd4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.3630]
_cell_length_b [9.3742]
_cell_length_c [7.6072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCuPdF5]
_chemical_formula_sum '[Li4 Cu4 Pd4 F20]'
_cell_volume [422.2229]
_cell_formula_units_Z [4]
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  4  0.0000  0.0611  0.2500  1.0
  Cu  Cu1  4  0.2500  0.2500  0.0000  1.0
  Pd  Pd2  4  0.0000  0.4172  0.2500  1.0
  F  F3  8  0.0118  0.1942  0.0761  1.0
  F  F4  8  0.2391  0.0751  0.8375  1.0
  F  F5  4  0.0000  0.3696  0.7500  1.0
]