data_[Li4Ge4Pb8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.2773]
_cell_length_b [8.3028]
_cell_length_c [11.6099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiGe(PbSe2)2]
_chemical_formula_sum '[Li4 Ge4 Pb8 Se16]'
_cell_volume [797.8923]
_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
  Ge  Ge1  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  0.0207  0.7617  1.0
  Se  Se5  8  0.2314  0.2500  0.9886  1.0
]