data_[Nd2Pb8F22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1165]
_cell_length_b [4.2247]
_cell_length_c [17.6488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NdPb4F11]
_chemical_formula_sum '[Nd2 Pb8 F22]'
_cell_volume [526.0615]
_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
[
  Nd  Nd0  2  0.3944  0.0000  0.1900  1.0
  Pb  Pb1  2  0.0613  0.5000  0.7994  1.0
  Pb  Pb2  2  0.1816  0.0000  0.5977  1.0
  Pb  Pb3  2  0.2917  0.5000  0.3939  1.0
  Pb  Pb4  2  0.4540  0.5000  0.9996  1.0
  F  F5  2  0.0302  0.5000  0.6496  1.0
  F  F6  2  0.0518  0.0000  0.1868  1.0
  F  F7  2  0.1077  0.5000  0.9448  1.0
  F  F8  2  0.1438  0.0000  0.4445  1.0
  F  F9  2  0.1768  0.5000  0.1184  1.0
  F  F10  2  0.2111  0.0000  0.7485  1.0
  F  F11  2  0.2461  0.5000  0.2573  1.0
  F  F12  2  0.3161  0.0000  0.0513  1.0
  F  F13  2  0.3310  0.5000  0.5480  1.0
  F  F14  2  0.4130  0.5000  0.8540  1.0
  F  F15  2  0.4373  0.0000  0.3323  1.0
]