data_[Cs8Zr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1780]
_cell_length_b [10.2448]
_cell_length_c [7.7468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2ZrTe3]
_chemical_formula_sum '[Cs8 Zr4 Te12]'
_cell_volume [1124.3479]
_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  8  0.1544  0.3331  0.2286  1.0
  Zr  Zr1  4  0.0000  0.0824  0.7500  1.0
  Te  Te2  8  0.1392  0.0106  0.5010  1.0
  Te  Te3  4  0.0000  0.3470  0.7500  1.0
]