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 [P2_1/m]
_cell_length_a [3.3585]
_cell_length_b [3.6086]
_cell_length_c [9.0340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BeHgAu]
_chemical_formula_sum '[Be2 Hg2 Au2]'
_cell_volume [107.8734]
_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  0.2529  0.2500  0.0077  1.0
  Hg  Hg1  2  0.0844  0.7500  0.6308  1.0
  Au  Au2  2  0.3310  0.7500  0.1767  1.0
]