data_[Cr2Re2B2Au2]
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
  B  2.0400  0.8500  0.4100
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7244]
_cell_length_b [2.9591]
_cell_length_c [4.6381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrReBAu]
_chemical_formula_sum '[Cr2 Re2 B2 Au2]'
_cell_volume [102.7427]
_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  0.4794  0.0000  0.1751  1
  Re  Re1  2  0.2842  0.0000  0.4548  1
  B  B2  2  0.4472  0.5000  0.8364  1
  Au  Au3  2  0.1689  0.5000  0.8493  1
]