data_[Cs3Si6Ni3Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.3498]
_cell_length_b [6.3498]
_cell_length_c [38.3451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsSi2NiTe8]
_chemical_formula_sum '[Cs3 Si6 Ni3 Te24]'
_cell_volume [1338.9298]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  -0.0000  0.0000  0.5000  1
  Si  Si1  6  0.0000  0.0000  0.2666  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  Te  Te3  18  0.0051  0.3906  0.2899  1
  Te  Te4  6  0.0000  0.0000  0.2030  1
]