data_[Cs6Li2Bi8]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.2246]
_cell_length_b [15.0692]
_cell_length_c [6.7877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs3LiBi4]
_chemical_formula_sum '[Cs6 Li2 Bi8]'
_cell_volume [738.9773]
_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  4  0.0000  0.2437  0.1777  1
  Cs  Cs1  2  0.0000  0.0000  0.5693  1
  Li  Li2  2  0.0000  0.5000  0.3269  1
  Bi  Bi3  4  0.0000  0.3660  0.6693  1
  Bi  Bi4  4  0.2396  0.5000  0.9240  1
]