data_[Cs8Fe2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [10.7163]
_cell_length_b [10.7163]
_cell_length_c [7.8399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [137]
_chemical_formula_structural [Cs4FeTe4]
_chemical_formula_sum '[Cs8 Fe2 Te8]'
_cell_volume [900.3294]
_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  8  0.0000  0.2728  0.6664  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  Te  Te2  8  0.0000  0.2048  0.1678  1
]