data_[Be4Tl8As8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.7044]
_cell_length_b [17.5568]
_cell_length_c [5.5790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [BeTl2As2Au]
_chemical_formula_sum '[Be4 Tl8 As8 Au4]'
_cell_volume [558.7454]
_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  4  0.0000  0.5000  0.2500  1.0
  Tl  Tl1  8  0.2044  0.1753  0.0000  1.0
  As  As2  8  0.1871  0.4110  0.0000  1.0
  Au  Au3  4  0.0000  0.0000  0.2500  1.0
]