data_[Ca4Ag4Pd2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.0982]
_cell_length_b [10.0982]
_cell_length_c [4.0918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2Ag2PdAu5]
_chemical_formula_sum '[Ca4 Ag4 Pd2 Au10]'
_cell_volume [417.2570]
_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
[
  Ca  Ca0  4  0.1747  0.6747  0.0000  1.0
  Ag  Ag1  4  0.1265  0.3735  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.0564  0.1944  0.5000  1.0
  Au  Au4  2  0.0000  0.5000  0.5000  1.0
]