data_[Li4P8Pb4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7201]
_cell_length_b [11.5865]
_cell_length_c [7.9147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiP2PbSe6]
_chemical_formula_sum '[Li4 P8 Pb4 Se24]'
_cell_volume [1129.6008]
_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  0.2608  0.7500  1
  P  P1  8  0.2105  0.4286  0.1869  1
  Pb  Pb2  4  0.0000  0.1445  0.2500  1
  Se  Se3  8  0.1066  0.0733  0.6728  1
  Se  Se4  8  0.1489  0.4470  0.4482  1
  Se  Se5  8  0.1515  0.2513  0.0954  1
]