data_[Na4Ta2Bi4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  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 [7.0013]
_cell_length_b [11.7468]
_cell_length_c [7.0958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ta(BiS3)2]
_chemical_formula_sum '[Na4 Ta2 Bi4 S12]'
_cell_volume [550.4918]
_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  4  0.0000  0.1715  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  4  0.0000  0.3331  0.5000  1.0
  S  S3  8  0.2234  0.1521  0.7170  1.0
  S  S4  4  0.2165  0.0000  0.2842  1.0
]