data_[Li10Ca4Zn4Pd2]
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
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.1680]
_cell_length_b [10.1680]
_cell_length_c [3.9830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li5Ca2Zn2Pd]
_chemical_formula_sum '[Li10 Ca4 Zn4 Pd2]'
_cell_volume [411.7971]
_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  8  0.0519  0.8124  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Ca  Ca2  4  0.1847  0.3153  0.0000  1
  Zn  Zn3  4  0.1100  0.6100  0.0000  1
  Pd  Pd4  2  0.0000  0.0000  0.0000  1
]