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 [P2_1]
_cell_length_a [4.0641]
_cell_length_b [5.7422]
_cell_length_c [4.5049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [BeAsAu]
_chemical_formula_sum '[Be2 As2 Au2]'
_cell_volume [105.1096]
_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  0.3164  0.5437  0.6499  1.0
  As  As1  2  0.1800  0.8378  0.3327  1.0
  Au  Au2  2  0.4811  0.9462  0.8494  1.0
]