data_[In4Ge4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0398]
_cell_length_b [7.5864]
_cell_length_c [6.0736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InGeAu4]
_chemical_formula_sum '[In4 Ge4 Au16]'
_cell_volume [501.3394]
_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  0.1721  0.0000  0.7292  1.0
  Ge  Ge1  4  0.0498  0.5000  0.8030  1.0
  Au  Au2  8  0.1227  0.2951  0.4351  1.0
  Au  Au3  4  0.0000  0.1891  0.0000  1.0
  Au  Au4  4  0.2196  0.0000  0.1984  1.0
]