data_[Li2P4Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7987]
_cell_length_b [4.3516]
_cell_length_c [7.9351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(PPd3)2]
_chemical_formula_sum '[Li2 P4 Pd12]'
_cell_volume [264.5410]
_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  2  0.0000  0.0000  0.5000  1.0
  P  P1  4  0.1749  0.5000  0.7648  1.0
  Pd  Pd2  4  0.0459  0.0000  0.1922  1.0
  Pd  Pd3  4  0.1295  0.5000  0.4384  1.0
  Pd  Pd4  4  0.1927  0.5000  0.0791  1.0
]