data_[Cs2Zn2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.3966]
_cell_length_b [5.5089]
_cell_length_c [10.1528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [CsZnTe]
_chemical_formula_sum '[Cs2 Zn2 Te2]'
_cell_volume [245.9056]
_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  1  0.0000  0.5000  0.5000  1
  Cs  Cs1  1  0.5000  0.5000  0.0000  1
  Zn  Zn2  2  0.5000  0.0000  0.3762  1
  Te  Te3  2  0.0000  0.0000  0.2226  1
]