data_[Na2Tl6Bi4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  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 [7.1854]
_cell_length_b [12.4222]
_cell_length_c [7.3381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl3(BiS3)2]
_chemical_formula_sum '[Na2 Tl6 Bi4 S12]'
_cell_volume [616.4770]
_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  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1605  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.3309  0.0000  1.0
  S  S4  8  0.2455  0.3270  0.7662  1.0
  S  S5  4  0.2308  0.5000  0.2208  1.0
]