data_[Tl10Au2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [6.9575]
_cell_length_b [4.3465]
_cell_length_c [14.3912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl5AuSe]
_chemical_formula_sum '[Tl10 Au2 Se2]'
_cell_volume [434.4499]
_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  2  0.0066  0.7500  0.3002  1
  Tl  Tl1  2  0.1963  0.2500  0.9475  1
  Tl  Tl2  2  0.2377  0.2500  0.4870  1
  Tl  Tl3  2  0.3480  0.7500  0.1245  1
  Tl  Tl4  2  0.3710  0.7500  0.7419  1
  Au  Au5  2  0.0403  0.2500  0.1459  1
  Se  Se6  2  0.4210  0.7500  0.3659  1
]