data_[Cs2Te6Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8419]
_cell_length_b [8.0507]
_cell_length_c [8.4290]
_cell_angle_alpha [85.2908]
_cell_angle_beta [72.2010]
_cell_angle_gamma [79.8244]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTe3Se]
_chemical_formula_sum '[Cs2 Te6 Se2]'
_cell_volume [434.9122]
_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  0.1556  0.2469  0.3097  1
  Te  Te1  2  0.1455  0.1141  0.8260  1
  Te  Te2  2  0.3065  0.5873  0.9670  1
  Te  Te3  2  0.3762  0.3760  0.6817  1
  Se  Se4  2  0.1978  0.7838  0.2601  1
]