data_[Nd6In4Ni8]
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 [10.0661]
_cell_length_b [4.3255]
_cell_length_c [8.6537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(InNi2)2]
_chemical_formula_sum '[Nd6 In4 Ni8]'
_cell_volume [374.8981]
_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  0.1291  0.5000  0.3813  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1746  0.5000  0.7797  1.0
  Ni  Ni3  4  0.0744  0.0000  0.6209  1.0
  Ni  Ni4  4  0.2306  0.5000  0.0798  1.0
]