data_[Ca2Al4Cu2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7694]
_cell_length_b [5.8033]
_cell_length_c [13.5908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CaAl2CuAu5]
_chemical_formula_sum '[Ca2 Al4 Cu2 Au10]'
_cell_volume [376.1694]
_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  2  0.0000  0.5000  0.0000  1
  Al  Al1  4  0.0000  0.0000  0.1854  1
  Cu  Cu2  2  0.0000  0.5000  0.5000  1
  Au  Au3  8  0.0000  0.2492  0.3384  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]