data_[Be2Re2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Re  1.9000  1.3500  0.7125
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5543]
_cell_length_b [2.6878]
_cell_length_c [4.9636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeReAu2]
_chemical_formula_sum '[Be2 Re2 Au4]'
_cell_volume [121.0393]
_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
[
  Be  Be0  2  0.4930  0.0000  0.5567  1
  Re  Re1  2  0.2226  0.0000  0.7023  1
  Au  Au2  2  0.0013  0.0000  0.9878  1
  Au  Au3  2  0.2831  0.5000  0.2532  1
]