data_[Cs4Ba4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3228]
_cell_length_b [9.3228]
_cell_length_c [8.2896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Cs2Ba2Te]
_chemical_formula_sum '[Cs4 Ba4 Te2]'
_cell_volume [720.4876]
_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  4  0.1729  0.6729  0.5000  1
  Ba  Ba1  4  0.1746  0.3254  0.0000  1
  Te  Te2  2  0.0000  0.0000  0.0000  1
]