data_[Na2Li4Bi6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3274]
_cell_length_b [4.0156]
_cell_length_c [8.0123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLi2(BiS2)3]
_chemical_formula_sum '[Na2 Li4 Bi6 S12]'
_cell_volume [543.9091]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1.0
  Li  Li1  4  0.1657  0.0000  0.3269  1.0
  Bi  Bi2  4  0.1673  0.0000  0.8312  1.0
  Bi  Bi3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0056  0.0000  0.2566  1.0
  S  S5  4  0.1696  0.5000  0.5845  1.0
  S  S6  4  0.1700  0.5000  0.0928  1.0
]