data_[Li2Tb2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  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 [8.6357]
_cell_length_b [4.1528]
_cell_length_c [9.0041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTbPbSe3]
_chemical_formula_sum '[Li2 Tb2 Pb2 Se6]'
_cell_volume [315.1264]
_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  0.0836  0.2500  0.5848  1.0
  Tb  Tb1  2  0.3313  0.7500  0.8333  1.0
  Pb  Pb2  2  0.1854  0.2500  0.2348  1.0
  Se  Se3  2  0.1101  0.2500  0.8708  1.0
  Se  Se4  2  0.2176  0.7500  0.5103  1.0
  Se  Se5  2  0.4342  0.7500  0.1654  1.0
]