data_[Na1Ac2Pb1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ac  1.1000  1.9500  1.2600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2268]
_cell_length_b [4.4272]
_cell_length_c [7.4869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaAc2PbS4]
_chemical_formula_sum '[Na1 Ac2 Pb1 S4]'
_cell_volume [224.1775]
_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  1  0.5000  0.5000  0.0000  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Ac  Ac2  1  0.0000  0.5000  0.5000  1
  Pb  Pb3  1  0.5000  0.0000  0.5000  1
  S  S4  2  0.2439  0.0000  0.7490  1
  S  S5  2  0.2485  0.5000  0.2460  1
]