data_[Nd6Ni2C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2843]
_cell_length_b [3.7573]
_cell_length_c [4.3357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3NiC4]
_chemical_formula_sum '[Nd6 Ni2 C8]'
_cell_volume [261.3035]
_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  0.1768  0.0000  0.2073  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.0000  0.5000  0.0000  1.0
  C  C3  4  0.0948  0.5000  0.8343  1.0
  C  C4  4  0.1651  0.5000  0.7137  1.0
]