data_[Cs1Sb2As2Se6]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0680]
_cell_length_b [7.9296]
_cell_length_c [8.9678]
_cell_angle_alpha [109.0442]
_cell_angle_beta [103.1554]
_cell_angle_gamma [98.9372]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSb2(AsSe3)2]
_chemical_formula_sum '[Cs1 Sb2 As2 Se6]'
_cell_volume [448.0068]
_cell_formula_units_Z [1]
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  0.5000  0.0000  0.5000  1.0
  Sb  Sb1  2  0.2221  0.3893  0.8835  1.0
  As  As2  2  0.1034  0.9021  0.9231  1.0
  Se  Se3  2  0.0296  0.9674  0.6826  1.0
  Se  Se4  2  0.1402  0.3918  0.1594  1.0
  Se  Se5  2  0.4524  0.7374  0.0621  1.0
]