data_[Nd10Si8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0708]
_cell_length_b [4.4382]
_cell_length_c [9.9917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5Si4]
_chemical_formula_sum '[Nd10 Si8]'
_cell_volume [455.3879]
_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  0.1044  0.0000  0.3921  1.0
  Nd  Nd1  4  0.2476  0.0000  0.8319  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Si  Si3  4  0.0481  0.5000  0.8231  1.0
  Si  Si4  4  0.1102  0.5000  0.6079  1.0
]