data_[Mn4Al4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8742]
_cell_length_b [19.0472]
_cell_length_c [12.8170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnAlPb2Se5]
_chemical_formula_sum '[Mn4 Al4 Pb8 Se20]'
_cell_volume [945.8087]
_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  0.2176  0.0311  1.0
  Al  Al1  4  0.0000  0.4341  0.4511  1.0
  Pb  Pb2  4  0.0000  0.1110  0.2967  1.0
  Pb  Pb3  4  0.0000  0.1142  0.6463  1.0
  Se  Se4  4  0.0000  0.0414  0.0595  1.0
  Se  Se5  4  0.0000  0.2797  0.6616  1.0
  Se  Se6  4  0.0000  0.3107  0.4052  1.0
  Se  Se7  4  0.0000  0.3510  0.9859  1.0
  Se  Se8  4  0.0000  0.4925  0.2865  1.0
]