data_[La8Mn4Pb4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  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 [4.2236]
_cell_length_b [17.9325]
_cell_length_c [12.7607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2MnPbSe5]
_chemical_formula_sum '[La8 Mn4 Pb4 Se20]'
_cell_volume [966.4966]
_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
[
  La  La0  4  0.0000  0.1142  0.6922  1.0
  La  La1  4  0.0000  0.1291  0.3443  1.0
  Mn  Mn2  4  0.0000  0.4583  0.4181  1.0
  Pb  Pb3  4  0.0000  0.1800  0.0405  1.0
  Se  Se4  4  0.0000  0.0001  0.0051  1.0
  Se  Se5  4  0.0000  0.2890  0.7064  1.0
  Se  Se6  4  0.0000  0.3256  0.3552  1.0
  Se  Se7  4  0.0000  0.3414  0.0195  1.0
  Se  Se8  4  0.0000  0.4837  0.7427  1.0
]