data_[Nd8Ni4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2388]
_cell_length_b [4.5480]
_cell_length_c [11.1651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2NiSn2]
_chemical_formula_sum '[Nd8 Ni4 Sn8]'
_cell_volume [505.2733]
_cell_formula_units_Z [4]
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  0.0005  0.0000  0.3334  1.0
  Nd  Nd1  4  0.1867  0.0000  0.1163  1.0
  Ni  Ni2  4  0.2180  0.5000  0.3402  1.0
  Sn  Sn3  4  0.0203  0.5000  0.8763  1.0
  Sn  Sn4  4  0.1638  0.5000  0.5591  1.0
]