data_[Hf4Mn4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [Cmc2_1]
_cell_length_a [3.8450]
_cell_length_b [17.1187]
_cell_length_c [12.9220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HfMnPb2S5]
_chemical_formula_sum '[Hf4 Mn4 Pb8 S20]'
_cell_volume [850.5490]
_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
[
  Hf  Hf0  4  0.0000  0.2163  0.0275  1.0
  Mn  Mn1  4  0.0000  0.4324  0.4444  1.0
  Pb  Pb2  4  0.0000  0.0981  0.6530  1.0
  Pb  Pb3  4  0.0000  0.1184  0.3045  1.0
  S  S4  4  0.0000  0.0656  0.0555  1.0
  S  S5  4  0.0000  0.2718  0.6613  1.0
  S  S6  4  0.0000  0.2980  0.3955  1.0
  S  S7  4  0.0000  0.3621  0.9969  1.0
  S  S8  4  0.0000  0.4977  0.2854  1.0
]