data_[Ta8Tl16Au8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.0081]
_cell_length_b [14.0422]
_cell_length_c [23.5752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [TaTl2AuSe4]
_chemical_formula_sum '[Ta8 Tl16 Au8 Se32]'
_cell_volume [1988.9814]
_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
[
  Ta  Ta0  8  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  16  0.0000  0.0000  0.1756  1.0
  Au  Au2  8  0.0000  0.0000  0.5000  1.0
  Se  Se3  32  0.0324  0.1462  0.3114  1.0
]