data_[Cs2La2Sn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1851]
_cell_length_b [7.3053]
_cell_length_c [10.0101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLaSnSe4]
_chemical_formula_sum '[Cs2 La2 Sn2 Se8]'
_cell_volume [500.1035]
_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  0.2525  0.2500  0.0589  1.0
  La  La1  2  0.2284  0.2500  0.5516  1.0
  Sn  Sn2  2  0.2247  0.7500  0.3328  1.0
  Se  Se3  4  0.0181  0.5158  0.7019  1.0
  Se  Se4  2  0.4324  0.7500  0.1705  1.0
  Se  Se5  2  0.4465  0.7500  0.5846  1.0
]