data_[Li4Ag4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4745]
_cell_length_b [2.8427]
_cell_length_c [5.6223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiAgPd]
_chemical_formula_sum '[Li4 Ag4 Pd4]'
_cell_volume [192.8193]
_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  0.1476  0.5000  0.0860  1.0
  Ag  Ag1  4  0.1692  0.5000  0.5945  1.0
  Pd  Pd2  4  0.0028  0.0000  0.7546  1.0
]