data_[Nd4In16Ni3]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.6847]
_cell_length_b [6.6847]
_cell_length_c [12.3251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nd4In16Ni3]
_chemical_formula_sum '[Nd4 In16 Ni3]'
_cell_volume [550.7574]
_cell_formula_units_Z [1]
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  0.1945  1
  In  In1  8  0.2527  0.2527  0.3817  1
  In  In2  4  0.2723  0.2723  0.0000  1
  In  In3  2  0.0000  0.0000  0.2129  1
  In  In4  2  0.5000  0.5000  0.1964  1
  Ni  Ni5  2  0.0000  0.5000  0.5000  1
  Ni  Ni6  1  0.0000  0.0000  0.0000  1
]