data_[Li4Ca6Pd8]
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 [10.2933]
_cell_length_b [4.3398]
_cell_length_c [8.6943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ca3Pd4]
_chemical_formula_sum '[Li4 Ca6 Pd8]'
_cell_volume [383.5648]
_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  0.1820  0.5000  0.7834  1.0
  Ca  Ca1  4  0.1217  0.5000  0.3817  1.0
  Ca  Ca2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0892  0.0000  0.6342  1.0
  Pd  Pd4  4  0.2249  0.5000  0.0909  1.0
]