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 [10.1221]
_cell_length_b [4.7741]
_cell_length_c [11.3779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsInSnTe3]
_chemical_formula_sum '[Cs2 In2 Sn2 Te6]'
_cell_volume [513.6574]
_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  0.2398  0.2500  0.2490  1.0
  In  In1  2  0.0911  0.2500  0.6389  1.0
  Sn  Sn2  2  0.3339  0.7500  0.8917  1.0
  Te  Te3  2  0.0915  0.2500  0.8799  1.0
  Te  Te4  2  0.1990  0.7500  0.5530  1.0
  Te  Te5  2  0.4906  0.7500  0.1657  1.0
]