data_[Cr2In4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3497]
_cell_length_b [7.0236]
_cell_length_c [13.8570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cr(InAu4)2]
_chemical_formula_sum '[Cr2 In4 Au16]'
_cell_volume [423.3441]
_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
[
  Cr  Cr0  2  0.0000  0.5000  0.5000  1.0
  In  In1  4  0.0000  0.5000  0.2073  1.0
  Au  Au2  8  0.0000  0.2108  0.3660  1.0
  Au  Au3  4  0.0000  0.0000  0.1533  1.0
  Au  Au4  4  0.0000  0.2859  0.0000  1.0
]