data_[Nd16Al2In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1849]
_cell_length_b [5.3678]
_cell_length_c [7.0967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8AlIn2]
_chemical_formula_sum '[Nd16 Al2 In4]'
_cell_volume [697.4425]
_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  4  0.0106  0.0000  0.7676  1
  Nd  Nd1  4  0.0925  0.5000  0.4617  1
  Nd  Nd2  4  0.1567  0.5000  0.9690  1
  Nd  Nd3  4  0.2046  0.0000  0.2994  1
  Al  Al4  2  0.0000  0.5000  0.0000  1
  In  In5  4  0.1779  0.0000  0.7287  1
]