data_[Cs2La2Si2Se8]
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
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.8949]
_cell_length_b [7.1330]
_cell_length_c [9.8451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CsLaSiSe4]
_chemical_formula_sum '[Cs2 La2 Si2 Se8]'
_cell_volume [460.0205]
_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  0.2292  0.5170  0.9352  1
  La  La1  2  0.2694  0.4973  0.4526  1
  Si  Si2  2  0.2881  0.0303  0.6717  1
  Se  Se3  2  0.0927  0.0255  0.8195  1
  Se  Se4  2  0.0940  0.0762  0.4379  1
  Se  Se5  2  0.4738  0.7680  0.2824  1
  Se  Se6  2  0.4862  0.7638  0.7022  1
]