data_[Mn4Bi4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Bi  2.0200  1.6000  1.0350
  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 [4.0460]
_cell_length_b [17.8272]
_cell_length_c [12.4101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnBiPb2S5]
_chemical_formula_sum '[Mn4 Bi4 Pb8 S20]'
_cell_volume [895.1199]
_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
[
  Mn  Mn0  4  0.0000  0.4534  0.4240  1
  Bi  Bi1  4  0.0000  0.1993  0.0339  1
  Pb  Pb2  4  0.0000  0.1167  0.3367  1
  Pb  Pb3  4  0.0000  0.1258  0.6844  1
  S  S4  4  0.0000  0.0229  0.0055  1
  S  S5  4  0.0000  0.2901  0.6871  1
  S  S6  4  0.0000  0.3292  0.3705  1
  S  S7  4  0.0000  0.3476  0.0172  1
  S  S8  4  0.0000  0.4878  0.7646  1
]