data_[Re2Os2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Os  2.2000  1.3000  0.6730
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3262]
_cell_length_b [2.8078]
_cell_length_c [4.9822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReOsAu2]
_chemical_formula_sum '[Re2 Os2 Au4]'
_cell_volume [128.7624]
_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
[
  Re  Re0  2  0.2574  0.5000  0.2800  1
  Os  Os1  2  0.4934  0.0000  0.4693  1
  Au  Au2  2  0.0026  0.0000  0.9922  1
  Au  Au3  2  0.2466  0.0000  0.7586  1
]