data_[Tl4Rh4Au2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6640]
_cell_length_b [11.7420]
_cell_length_c [7.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Rh2AuSe6]
_chemical_formula_sum '[Tl4 Rh4 Au2 Se12]'
_cell_volume [560.9966]
_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
[
  Tl  Tl0  4  0.0000  0.1656  0.0000  1.0
  Rh  Rh1  4  0.0000  0.3307  0.5000  1.0
  Au  Au2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2351  0.1788  0.6835  1.0
  Se  Se4  4  0.2163  0.5000  0.6709  1.0
]