data_[Cs2Sn2Sb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3178]
_cell_length_b [4.2214]
_cell_length_c [11.8184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSnSbSe3]
_chemical_formula_sum '[Cs2 Sn2 Sb2 Se6]'
_cell_volume [432.1168]
_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  0.2263  0.2500  0.2668  1.0
  Sn  Sn1  2  0.1407  0.2500  0.5630  1.0
  Sb  Sb2  2  0.3705  0.7500  0.8525  1.0
  Se  Se3  2  0.1336  0.2500  0.7891  1.0
  Se  Se4  2  0.3467  0.7500  0.5883  1.0
  Se  Se5  2  0.3988  0.7500  0.0943  1.0
]