data_[Cs6Zr2Te8]
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 [Imm2]
_cell_length_a [6.8133]
_cell_length_b [15.9546]
_cell_length_c [7.9725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3ZrTe4]
_chemical_formula_sum '[Cs6 Zr2 Te8]'
_cell_volume [866.6413]
_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  0.0000  0.2856  0.6776  1.0
  Cs  Cs1  2  0.0000  0.0000  0.8269  1.0
  Zr  Zr2  2  0.0000  0.5000  0.0244  1.0
  Te  Te3  4  0.0000  0.3533  0.2048  1.0
  Te  Te4  4  0.2305  0.0000  0.2674  1.0
]