data_[Cs2Sn8Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0528]
_cell_length_b [4.2780]
_cell_length_c [12.0757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSn4Se5]
_chemical_formula_sum '[Cs2 Sn8 Se10]'
_cell_volume [637.3603]
_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  0.0000  0.0000  0.0000  1
  Sn  Sn1  4  0.1073  0.5000  0.4109  1
  Sn  Sn2  4  0.1801  0.0000  0.7519  1
  Se  Se3  4  0.0931  0.5000  0.8274  1
  Se  Se4  4  0.1991  0.0000  0.3335  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
]