data_[Ca4Ac4Pd2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  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 [15.0590]
_cell_length_b [4.2227]
_cell_length_c [8.0747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ac2PdAu2]
_chemical_formula_sum '[Ca4 Ac4 Pd2 Au4]'
_cell_volume [452.2599]
_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  0.2139  0.0000  0.2845  1
  Ac  Ac1  4  0.0397  0.5000  0.7737  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.1158  0.0000  0.5529  1
]