data_[Cs2In2Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2309]
_cell_length_b [7.8971]
_cell_length_c [7.9132]
_cell_angle_alpha [108.4246]
_cell_angle_beta [106.1465]
_cell_angle_gamma [106.2590]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsInTe2]
_chemical_formula_sum '[Cs2 In2 Te4]'
_cell_volume [376.7567]
_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  0.2450  0.3787  0.6373  1.0
  In  In1  2  0.2501  0.9958  0.0064  1.0
  Te  Te2  2  0.1286  0.3154  0.0840  1.0
  Te  Te3  2  0.3761  0.9335  0.6903  1.0
]