data_[Li4P4Pd6]
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 [9.4030]
_cell_length_b [3.6909]
_cell_length_c [6.7002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2P2Pd3]
_chemical_formula_sum '[Li4 P4 Pd6]'
_cell_volume [215.9041]
_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  0.1399  0.0000  0.7911  1.0
  P  P1  4  0.1531  0.0000  0.2232  1.0
  Pd  Pd2  4  0.1294  0.5000  0.4401  1.0
  Pd  Pd3  2  0.0000  0.5000  0.0000  1.0
]