data_[Na2Bi1H6S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.4907]
_cell_length_b [7.4907]
_cell_length_c [20.0102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Na2Bi(HS)6]
_chemical_formula_sum '[Na2 Bi1 H6 S6]'
_cell_volume [972.3512]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.5161  1
  Bi  Bi1  1  0.0000  0.0000  0.5000  1
  H  H2  6  0.1268  0.8046  0.3748  1
  S  S3  6  0.0313  0.6993  0.4308  1
]