data_[Li4Sb4Pb8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4361]
_cell_length_b [8.5388]
_cell_length_c [11.8134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiSb(PbSe2)2]
_chemical_formula_sum '[Li4 Sb4 Pb8 Se16]'
_cell_volume [850.9676]
_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
[
  Li  Li0  4  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  4  0.2500  0.2500  0.7500  1.0
  Pb  Pb2  4  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  4  0.2500  0.2500  0.2500  1.0
  Se  Se4  8  0.0000  0.0133  0.7622  1.0
  Se  Se5  8  0.2345  0.2500  0.9928  1.0
]