data_[Cs12In4Te12]
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 [C2/m]
_cell_length_a [10.4203]
_cell_length_b [15.6772]
_cell_length_c [9.1607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3InTe3]
_chemical_formula_sum '[Cs12 In4 Te12]'
_cell_volume [1463.2384]
_cell_formula_units_Z [4]
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  4  0.0000  0.1750  0.5000  1.0
  Cs  Cs1  4  0.0000  0.2382  0.0000  1.0
  Cs  Cs2  4  0.1069  0.5000  0.3511  1.0
  In  In3  4  0.1721  0.0000  0.1523  1.0
  Te  Te4  8  0.2021  0.3531  0.7199  1.0
  Te  Te5  4  0.1023  0.0000  0.8285  1.0
]