data_[Nd6Si8Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9887]
_cell_length_b [4.0634]
_cell_length_c [8.2573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(Si2Ni)2]
_chemical_formula_sum '[Nd6 Si8 Ni4]'
_cell_volume [346.8412]
_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  0.1086  0.5000  0.6825  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.1354  0.0000  0.4115  1.0
  Si  Si3  4  0.2245  0.5000  0.0697  1.0
  Ni  Ni4  4  0.1797  0.5000  0.3221  1.0
]