data_[Na4Mn4Pb8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.9557]
_cell_length_b [8.0274]
_cell_length_c [11.1590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaMn(PbS2)2]
_chemical_formula_sum '[Na4 Mn4 Pb8 S16]'
_cell_volume [712.6499]
_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  0.0000  0.0000  1
  Mn  Mn1  4  0.2500  0.2500  0.7500  1
  Pb  Pb2  4  0.0000  0.0000  0.5000  1
  Pb  Pb3  4  0.2500  0.2500  0.2500  1
  S  S4  8  0.0000  0.0305  0.7533  1
  S  S5  8  0.2450  0.2500  0.9750  1
]