data_[Li2Ca4Pd2Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4566]
_cell_length_b [5.4598]
_cell_length_c [7.9636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCa2PdAu6]
_chemical_formula_sum '[Li2 Ca4 Pd2 Au12]'
_cell_volume [418.8098]
_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  2  0.0000  0.0000  0.5000  1.0
  Ca  Ca1  4  0.0089  0.5000  0.2421  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.2453  0.2495  0.8132  1.0
  Au  Au4  4  0.1752  0.0000  0.4353  1.0
]