data_[Cs2In2Sn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0899]
_cell_length_b [4.7613]
_cell_length_c [11.3615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsInSnTe3]
_chemical_formula_sum '[Cs2 In2 Sn2 Te6]'
_cell_volume [509.8379]
_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  0.2399  0.7500  0.2492  1
  In  In1  2  0.0910  0.7500  0.6387  1
  Sn  Sn2  2  0.3338  0.2500  0.8915  1
  Te  Te3  2  0.0916  0.7500  0.8802  1
  Te  Te4  2  0.1993  0.2500  0.5531  1
  Te  Te5  2  0.4909  0.2500  0.1659  1
]