data_[Li2P2Pb2Se8]
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 [P2_1/m]
_cell_length_a [7.1503]
_cell_length_b [6.8726]
_cell_length_c [8.1095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPPbSe4]
_chemical_formula_sum '[Li2 P2 Pb2 Se8]'
_cell_volume [376.7180]
_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
[
  Li  Li0  2  0.3043  0.2500  0.5402  1
  P  P1  2  0.2341  0.7500  0.3134  1
  Pb  Pb2  2  0.2227  0.2500  0.0610  1
  Se  Se3  4  0.0209  0.0030  0.2563  1
  Se  Se4  2  0.4000  0.7500  0.5934  1
  Se  Se5  2  0.4159  0.7500  0.1398  1
]