data_[In2Cu10Au14]
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 [Imm2]
_cell_length_a [5.3415]
_cell_length_b [8.8808]
_cell_length_c [9.1160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [InCu5Au7]
_chemical_formula_sum '[In2 Cu10 Au14]'
_cell_volume [432.4356]
_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  0.0000  0.0000  0.0134  1.0
  Cu  Cu1  8  0.2495  0.2564  0.7478  1.0
  Cu  Cu2  2  0.0000  0.5000  0.7349  1.0
  Au  Au3  4  0.0000  0.3016  0.5032  1.0
  Au  Au4  4  0.0000  0.3337  0.9919  1.0
  Au  Au5  2  0.0000  0.0000  0.3397  1.0
  Au  Au6  2  0.0000  0.0000  0.6675  1.0
  Au  Au7  2  0.0000  0.5000  0.2629  1.0
]