data_[Ca2Al4Ga2Au2]
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
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1678]
_cell_length_b [4.1678]
_cell_length_c [11.5655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CaAl2GaAu]
_chemical_formula_sum '[Ca2 Al4 Ga2 Au2]'
_cell_volume [200.8955]
_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  0.0000  0.9973  1
  Al  Al1  4  0.0000  0.5000  0.2496  1
  Ga  Ga2  2  0.0000  0.0000  0.3899  1
  Au  Au3  2  0.0000  0.0000  0.6137  1
]