data_[Nd16In2Ni4]
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 [C2/m]
_cell_length_a [8.7848]
_cell_length_b [13.8750]
_cell_length_c [5.5338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8InNi2]
_chemical_formula_sum '[Nd16 In2 Ni4]'
_cell_volume [652.9535]
_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  8  0.2041  0.1258  0.0655  1
  Nd  Nd1  4  0.0000  0.2487  0.5000  1
  Nd  Nd2  4  0.1042  0.5000  0.3041  1
  In  In3  2  0.0000  0.0000  0.5000  1
  Ni  Ni4  4  0.0000  0.2992  0.0000  1
]