data_[Na2Ta2Pb2S8]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9302]
_cell_length_b [7.0216]
_cell_length_c [8.1933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTaPbS4]
_chemical_formula_sum '[Na2 Ta2 Pb2 S8]'
_cell_volume [377.3698]
_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  0.2143  0.2500  0.5463  1.0
  Ta  Ta1  2  0.2497  0.7500  0.3122  1.0
  Pb  Pb2  2  0.2307  0.2500  0.0595  1.0
  S  S3  4  0.0217  0.0020  0.2406  1.0
  S  S4  2  0.4253  0.7500  0.5963  1.0
  S  S5  2  0.4444  0.7500  0.1373  1.0
]