data_[Li4Sb4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6329]
_cell_length_b [5.0125]
_cell_length_c [9.1648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiSbPd3]
_chemical_formula_sum '[Li4 Sb4 Pd12]'
_cell_volume [323.6280]
_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  0.3445  0.1605  0.8780  1.0
  Sb  Sb1  4  0.2430  0.6616  0.0150  1.0
  Pd  Pd2  4  0.0593  0.6497  0.2142  1.0
  Pd  Pd3  4  0.1649  0.1570  0.0894  1.0
  Pd  Pd4  4  0.4512  0.6474  0.8260  1.0
]