data_[Li4P2H2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.7688]
_cell_length_b [6.1698]
_cell_length_c [8.4002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2PHPd6]
_chemical_formula_sum '[Li4 P2 H2 Pd12]'
_cell_volume [298.9812]
_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  4  0.0000  0.0000  0.2438  1.0
  P  P1  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  8  0.2433  0.2710  0.0000  1.0
  Pd  Pd3  4  0.0000  0.5000  0.2357  1.0
  H  H4  2  0.0000  0.5000  0.0000  1.0
]