data_[Li1Al1Pb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P1]
_cell_length_a [6.6480]
_cell_length_b [6.7989]
_cell_length_c [6.8957]
_cell_angle_alpha [61.2952]
_cell_angle_beta [84.8490]
_cell_angle_gamma [61.1394]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiAl(PbSe2)2]
_chemical_formula_sum '[Li1 Al1 Pb2 Se4]'
_cell_volume [235.2936]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.4947  0.5201  0.9950  1.0
  Al  Al1  1  0.2476  0.0057  0.2431  1.0
  Pb  Pb2  1  0.0856  0.4981  0.5784  1.0
  Pb  Pb3  1  0.8508  0.9523  0.8629  1.0
  Se  Se4  1  0.1994  0.3994  0.2093  1.0
  Se  Se5  1  0.4212  0.9490  0.9370  1.0
  Se  Se6  1  0.4540  0.6026  0.5888  1.0
  Se  Se7  1  0.8598  0.0728  0.1984  1.0
]