data_[Na4Ta4Bi4S16]
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 [Cmcm]
_cell_length_a [7.2651]
_cell_length_b [11.4133]
_cell_length_c [9.0844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaTaBiS4]
_chemical_formula_sum '[Na4 Ta4 Bi4 S16]'
_cell_volume [753.2620]
_cell_formula_units_Z [4]
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  0.5000  0.0000  1
  Ta  Ta1  4  0.0000  0.1353  0.7500  1
  Bi  Bi2  4  0.0000  0.1910  0.2500  1
  S  S3  8  0.0000  0.2521  0.5477  1
  S  S4  8  0.2433  0.0044  0.7500  1
]