data_[Sr6Li6Nd3Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9002]
_cell_length_b [4.9002]
_cell_length_c [33.6169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Li2NdPb2]
_chemical_formula_sum '[Sr6 Li6 Nd3 Pb6]'
_cell_volume [699.0761]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  6  0.0000  0.0000  0.1167  1
  Li  Li1  6  0.0000  0.0000  0.3815  1
  Nd  Nd2  3  0.0000  0.0000  0.0000  1
  Pb  Pb3  6  0.0000  0.0000  0.2782  1
]