data_[Ca4Al4In4Au4]
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
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.3405]
_cell_length_b [4.5053]
_cell_length_c [10.7060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaAlInAu]
_chemical_formula_sum '[Ca4 Al4 In4 Au4]'
_cell_volume [354.0600]
_cell_formula_units_Z [4]
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  0.0737  1
  Ca  Ca1  2  0.5000  0.0000  0.9236  1
  Al  Al2  4  0.3092  0.0000  0.6434  1
  In  In3  4  0.2032  0.0000  0.3725  1
  Au  Au4  2  0.0000  0.0000  0.7725  1
  Au  Au5  2  0.5000  0.0000  0.1983  1
]