data_[Li4V1Pd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9486]
_cell_length_b [2.9486]
_cell_length_c [15.6341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li4VPd5]
_chemical_formula_sum '[Li4 V1 Pd5]'
_cell_volume [135.9241]
_cell_formula_units_Z [1]
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  0.2102  1.0
  Li  Li1  2  0.0000  0.0000  0.4029  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  2  0.5000  0.5000  0.1057  1.0
  Pd  Pd4  2  0.5000  0.5000  0.3048  1.0
  Pd  Pd5  1  0.5000  0.5000  0.5000  1.0
]