data_[Li2Sc2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  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 [8.3425]
_cell_length_b [4.0312]
_cell_length_c [8.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiScPbSe3]
_chemical_formula_sum '[Li2 Sc2 Pb2 Se6]'
_cell_volume [290.0219]
_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  0.0848  0.2500  0.5897  1.0
  Sc  Sc1  2  0.3286  0.7500  0.8401  1.0
  Pb  Pb2  2  0.1964  0.2500  0.2438  1.0
  Se  Se3  2  0.1142  0.2500  0.8738  1.0
  Se  Se4  2  0.2318  0.7500  0.5250  1.0
  Se  Se5  2  0.4451  0.7500  0.1577  1.0
]