data_[Cs2Te2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8882]
_cell_length_b [5.8707]
_cell_length_c [12.1887]
_cell_angle_alpha [90.0852]
_cell_angle_beta [101.2045]
_cell_angle_gamma [90.1565]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTeI]
_chemical_formula_sum '[Cs2 Te2 I2]'
_cell_volume [343.1134]
_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
[
  Cs  Cs0  2  0.1711  0.7518  0.8332  1
  Te  Te1  2  0.2615  0.3961  0.5289  1
  I  I2  2  0.3235  0.7494  0.1587  1
]