data_[Tl16Si8Ni8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.1866]
_cell_length_b [12.8454]
_cell_length_c [24.3130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Tl2SiNiSe4]
_chemical_formula_sum '[Tl16 Si8 Ni8 Se32]'
_cell_volume [1932.1429]
_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
[
  Tl  Tl0  16  0.0000  0.0000  0.1926  1
  Si  Si1  8  0.0000  0.0000  0.5000  1
  Ni  Ni2  8  0.0000  0.0000  0.0000  1
  Se  Se3  32  0.0151  0.1519  0.6988  1
]