data_[Be4As4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6898]
_cell_length_b [3.7999]
_cell_length_c [7.8428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeAsAu]
_chemical_formula_sum '[Be4 As4 Au4]'
_cell_volume [226.2111]
_cell_formula_units_Z [4]
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  0.1431  0.5000  0.2093  1.0
  Be  Be1  2  0.1469  0.0000  0.4749  1.0
  As  As2  2  0.2166  0.0000  0.0404  1.0
  As  As3  2  0.3032  0.5000  0.4943  1.0
  Au  Au4  2  0.0451  0.0000  0.7461  1.0
  Au  Au5  2  0.4498  0.5000  0.2031  1.0
]