data_[Li2La2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  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 [8.9695]
_cell_length_b [4.1470]
_cell_length_c [9.1438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiLaPbSe3]
_chemical_formula_sum '[Li2 La2 Pb2 Se6]'
_cell_volume [334.6085]
_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  0.0924  0.7500  0.5889  1
  La  La1  2  0.1662  0.7500  0.2209  1
  Pb  Pb2  2  0.3444  0.2500  0.8311  1
  Se  Se3  2  0.0956  0.7500  0.8718  1
  Se  Se4  2  0.1964  0.2500  0.4760  1
  Se  Se5  2  0.3991  0.2500  0.1592  1
]