data_[Nd16Si4C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.7597]
_cell_length_b [4.0131]
_cell_length_c [7.9137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Si2C]
_chemical_formula_sum '[Nd16 Si4 C2]'
_cell_volume [652.6416]
_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  0.0045  0.0000  0.2126  1.0
  Nd  Nd1  4  0.0988  0.5000  0.5303  1.0
  Nd  Nd2  4  0.1225  0.5000  0.0292  1.0
  Nd  Nd3  4  0.2334  0.0000  0.6936  1.0
  Si  Si4  4  0.1587  0.0000  0.3245  1.0
  C  C5  2  0.0000  0.5000  0.0000  1.0
]