data_[Be4Bi4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2523]
_cell_length_b [3.2951]
_cell_length_c [9.0836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeBiAu]
_chemical_formula_sum '[Be4 Bi4 Au4]'
_cell_volume [245.2269]
_cell_formula_units_Z [4]
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  0.1826  0.0000  0.8594  1.0
  Be  Be1  2  0.4596  0.0000  0.7680  1.0
  Bi  Bi2  2  0.2252  0.0000  0.1641  1.0
  Bi  Bi3  2  0.4877  0.5000  0.4802  1.0
  Au  Au4  2  0.2281  0.5000  0.6767  1.0
  Au  Au5  2  0.4241  0.5000  0.9591  1.0
]