data_[In2Cu28Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5538]
_cell_length_b [5.3462]
_cell_length_c [9.1261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [InCu14Au]
_chemical_formula_sum '[In2 Cu28 Au2]'
_cell_volume [417.3402]
_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
[
  In  In0  2  0.5000  0.0000  0.0450  1
  Cu  Cu1  8  0.2350  0.2486  0.6274  1
  Cu  Cu2  4  0.0000  0.2498  0.4554  1
  Cu  Cu3  4  0.2404  0.0000  0.8713  1
  Cu  Cu4  4  0.2424  0.0000  0.3717  1
  Cu  Cu5  4  0.5000  0.2483  0.7942  1
  Cu  Cu6  2  0.0000  0.0000  0.2073  1
  Cu  Cu7  2  0.0000  0.0000  0.7077  1
  Au  Au8  2  0.5000  0.0000  0.5448  1
]