data_[In4Cu12Au24]
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 [Cmc2_1]
_cell_length_a [9.2780]
_cell_length_b [12.6011]
_cell_length_c [6.0615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In(CuAu2)3]
_chemical_formula_sum '[In4 Cu12 Au24]'
_cell_volume [708.6642]
_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
[
  In  In0  4  0.0000  0.2313  0.9226  1.0
  Cu  Cu1  8  0.1370  0.1300  0.5759  1.0
  Cu  Cu2  4  0.0000  0.4424  0.6760  1.0
  Au  Au3  8  0.2128  0.4725  0.3847  1.0
  Au  Au4  8  0.2463  0.3114  0.7017  1.0
  Au  Au5  4  0.0000  0.0390  0.2307  1.0
  Au  Au6  4  0.0000  0.3009  0.3605  1.0
]