data_[Na4Ga4Pb8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.0883]
_cell_length_b [8.1200]
_cell_length_c [11.2339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaGa(PbS2)2]
_chemical_formula_sum '[Na4 Ga4 Pb8 S16]'
_cell_volume [737.8048]
_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  0.2500  0.2500  0.2500  1
  Ga  Ga1  4  0.0000  0.0000  0.0000  1
  Pb  Pb2  4  0.0000  0.0000  0.5000  1
  Pb  Pb3  4  0.2500  0.2500  0.7500  1
  S  S4  8  0.0000  0.0084  0.2129  1
  S  S5  8  0.2319  0.2500  0.0057  1
]