data_[Cs2La2Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3420]
_cell_length_b [6.0413]
_cell_length_c [11.2743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLaSe2]
_chemical_formula_sum '[Cs2 La2 Se4]'
_cell_volume [290.2486]
_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  0.4200  0.2500  0.8934  1.0
  La  La1  2  0.3093  0.7500  0.6201  1.0
  Se  Se2  2  0.0973  0.2500  0.1911  1.0
  Se  Se3  2  0.2859  0.2500  0.5723  1.0
]