data_[Nd4In8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.1264]
_cell_length_b [10.2403]
_cell_length_c [11.2217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [NdIn2F11]
_chemical_formula_sum '[Nd4 In8 F44]'
_cell_volume [933.8393]
_cell_formula_units_Z [4]
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  4  0.0000  0.5000  0.2500  1
  In  In1  8  0.1634  0.1921  0.0000  1
  F  F2  16  0.1068  0.3240  0.1378  1
  F  F3  16  0.2192  0.4209  0.3702  1
  F  F4  8  0.1049  0.1926  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]