data_[Cr4Re2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Re  1.9000  1.3500  0.7125
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3883]
_cell_length_b [2.8463]
_cell_length_c [4.5005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cr2ReAu]
_chemical_formula_sum '[Cr4 Re2 Au2]'
_cell_volume [112.3374]
_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  0.0291  0.0000  0.9931  1
  Cr  Cr1  2  0.2225  0.5000  0.2613  1
  Re  Re2  2  0.4831  0.0000  0.4514  1
  Au  Au3  2  0.2652  0.0000  0.7942  1
]