data_[Be2As2Au2]
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 [Pm]
_cell_length_a [6.0368]
_cell_length_b [2.8258]
_cell_length_c [6.2101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeAsAu]
_chemical_formula_sum '[Be2 As2 Au2]'
_cell_volume [102.4919]
_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  1  0.0559  0.5000  0.9074  1
  Be  Be1  1  0.5587  0.5000  0.9036  1
  As  As2  1  0.1009  0.0000  0.2321  1
  As  As3  1  0.6846  0.0000  0.2273  1
  Au  Au4  1  0.2524  0.0000  0.6947  1
  Au  Au5  1  0.7479  0.0000  0.6811  1
]