data_[Li6Ca4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3910]
_cell_length_b [4.2352]
_cell_length_c [7.4264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(CaPd)2]
_chemical_formula_sum '[Li6 Ca4 Pd4]'
_cell_volume [296.6278]
_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  0.1499  0.5000  0.4321  1
  Li  Li1  2  0.0000  0.5000  0.0000  1
  Ca  Ca2  4  0.1407  0.0000  0.7825  1
  Pd  Pd3  4  0.1406  0.0000  0.1906  1
]