data_[Be2Hg2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0161]
_cell_length_b [3.1378]
_cell_length_c [11.3191]
_cell_angle_alpha [94.4643]
_cell_angle_beta [97.3006]
_cell_angle_gamma [90.0148]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BeHgAu]
_chemical_formula_sum '[Be2 Hg2 Au2]'
_cell_volume [105.9269]
_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  0.2200  0.2457  0.4429  1.0
  Hg  Hg1  2  0.0752  0.8508  0.1214  1.0
  Au  Au2  2  0.3264  0.2850  0.6545  1.0
]