data_[Li4Ca8Al4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.9047]
_cell_length_b [14.7679]
_cell_length_c [5.9200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [LiCa2AlPd2]
_chemical_formula_sum '[Li4 Ca8 Al4 Pd8]'
_cell_volume [516.2216]
_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  0.0000  0.2500  1.0
  Ca  Ca1  8  0.2376  0.1722  0.5000  1.0
  Al  Al2  4  0.0000  0.5000  0.2500  1.0
  Pd  Pd3  8  0.2237  0.3915  0.5000  1.0
]