data_[Be2Zn2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2838]
_cell_length_b [3.0584]
_cell_length_c [4.4113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeZnAu2]
_chemical_formula_sum '[Be2 Zn2 Au4]'
_cell_volume [118.6545]
_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  0.1741  0.5000  0.0949  1.0
  Zn  Zn1  2  0.4076  0.0000  0.4202  1.0
  Au  Au2  2  0.1705  0.0000  0.6166  1.0
  Au  Au3  2  0.4530  0.5000  0.9642  1.0
]