# generated using pymatgen
data_Nd3TiFeC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35395089
_cell_length_b   8.35395071
_cell_length_c   5.19795313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998892
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3TiFeC6
_chemical_formula_sum   'Nd6 Ti2 Fe2 C12'
_cell_volume   314.15709050
_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  1  0.61478698  0.67744657  0.75000000  1.0
  Nd  Nd1  1  0.93734041  0.61478698  0.25000000  1.0
  Nd  Nd2  1  0.67744657  0.06265959  0.25000000  1.0
  Nd  Nd3  1  0.32255343  0.93734041  0.75000000  1.0
  Nd  Nd4  1  0.06265959  0.38521302  0.75000000  1.0
  Nd  Nd5  1  0.38521302  0.32255343  0.25000000  1.0
  Ti  Ti6  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe8  1  0.66666700  0.33333300  0.75000000  1.0
  Fe  Fe9  1  0.33333300  0.66666700  0.25000000  1.0
  C  C10  1  0.95341964  0.75724697  0.75000000  1.0
  C  C11  1  0.19617267  0.95341964  0.25000000  1.0
  C  C12  1  0.75724697  0.80382733  0.25000000  1.0
  C  C13  1  0.24275303  0.19617267  0.75000000  1.0
  C  C14  1  0.80382733  0.04658036  0.75000000  1.0
  C  C15  1  0.04658036  0.24275303  0.25000000  1.0
  C  C16  1  0.85846057  0.56926556  0.75000000  1.0
  C  C17  1  0.28919401  0.85846057  0.25000000  1.0
  C  C18  1  0.56926556  0.71080599  0.25000000  1.0
  C  C19  1  0.43073444  0.28919401  0.75000000  1.0
  C  C20  1  0.14153943  0.43073444  0.25000000  1.0
  C  C21  1  0.71080599  0.14153943  0.75000000  1.0