data_[Nd6In6Ni6]
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 [Pmma]
_cell_length_a [13.1964]
_cell_length_b [3.8597]
_cell_length_c [7.6507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NdInNi]
_chemical_formula_sum '[Nd6 In6 Ni6]'
_cell_volume [389.6778]
_cell_formula_units_Z [6]
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  0.0434  0.0000  0.7706  1.0
  Nd  Nd1  2  0.2500  0.0000  0.1371  1.0
  In  In2  4  0.1243  0.5000  0.4251  1.0
  In  In3  2  0.2500  0.5000  0.7957  1.0
  Ni  Ni4  4  0.0922  0.5000  0.0542  1.0
  Ni  Ni5  2  0.2500  0.0000  0.5471  1.0
]