data_[Be4Cu4Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9646]
_cell_length_b [12.1557]
_cell_length_c [7.1108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Be2Cu2Au7]
_chemical_formula_sum '[Be4 Cu4 Au14]'
_cell_volume [342.6879]
_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  4  0.0000  0.1983  0.6191  1
  Cu  Cu1  2  0.0000  0.0000  0.8328  1
  Cu  Cu2  2  0.0000  0.5000  0.6134  1
  Au  Au3  4  0.0000  0.1410  0.1221  1
  Au  Au4  4  0.0000  0.3366  0.9082  1
  Au  Au5  4  0.0000  0.3497  0.3200  1
  Au  Au6  2  0.0000  0.0000  0.4688  1
]