data_[Tb8As16Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6835]
_cell_length_b [5.7034]
_cell_length_c [20.6203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [TbAs2Au]
_chemical_formula_sum '[Tb8 As16 Au8]'
_cell_volume [668.4139]
_cell_formula_units_Z [8]
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
[
  Tb  Tb0  8  0.0000  0.2348  0.1161  1.0
  As  As1  8  0.0000  0.2368  0.3473  1.0
  As  As2  8  0.2312  0.0000  0.5000  1.0
  Au  Au3  8  0.2500  0.0532  0.7500  1.0
]