data_[K2Nd2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  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 [9.1177]
_cell_length_b [4.3089]
_cell_length_c [11.5826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNdPbSe3]
_chemical_formula_sum '[K2 Nd2 Pb2 Se6]'
_cell_volume [450.2368]
_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
[
  K  K0  2  0.1499  0.2500  0.1512  1.0
  Nd  Nd1  2  0.3693  0.7500  0.8597  1.0
  Pb  Pb2  2  0.1457  0.2500  0.5975  1.0
  Se  Se3  2  0.1324  0.2500  0.8432  1.0
  Se  Se4  2  0.3473  0.7500  0.6008  1.0
  Se  Se5  2  0.4084  0.7500  0.1200  1.0
]