data_[Al2Pb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [14.7756]
_cell_length_b [3.5652]
_cell_length_c [4.3633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlPbSe2]
_chemical_formula_sum '[Al2 Pb2 Se4]'
_cell_volume [225.4750]
_cell_formula_units_Z [2]
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
[
  Al  Al0  2  0.4365  0.0000  0.2510  1
  Pb  Pb1  2  0.1842  0.0000  0.7402  1
  Se  Se2  2  0.0451  0.0000  0.1474  1
  Se  Se3  2  0.3342  0.5000  0.3614  1
]