data_[Cs2Li2Bi2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8972]
_cell_length_b [4.4909]
_cell_length_c [10.0256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLiBiSe3]
_chemical_formula_sum '[Cs2 Li2 Bi2 Se6]'
_cell_volume [390.8029]
_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  0.2374  0.7500  0.2365  1
  Li  Li1  2  0.1065  0.7500  0.5564  1
  Bi  Bi2  2  0.3134  0.2500  0.8343  1
  Se  Se3  2  0.0958  0.7500  0.8091  1
  Se  Se4  2  0.1757  0.2500  0.4952  1
  Se  Se5  2  0.4908  0.2500  0.1680  1
]