data_[Cs2Sb2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.8386]
_cell_length_b [4.4808]
_cell_length_c [4.6851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsSbTe2]
_chemical_formula_sum '[Cs2 Sb2 Te4]'
_cell_volume [352.0183]
_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  2  0.2818  0.5000  0.6654  1.0
  Sb  Sb1  2  0.0358  0.5000  0.8619  1.0
  Te  Te2  2  0.1333  0.0000  0.1256  1.0
  Te  Te3  2  0.4125  0.0000  0.2090  1.0
]