# generated using pymatgen
data_Nd3ScMnC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43414098
_cell_length_b   8.43413896
_cell_length_c   5.32264874
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3ScMnC6
_chemical_formula_sum   'Nd6 Sc2 Mn2 C12'
_cell_volume   327.89898463
_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  0.60990191  0.67616420  0.75000000  1.0
  Nd  Nd1  1  0.93373771  0.60990191  0.25000000  1.0
  Nd  Nd2  1  0.67616420  0.06626229  0.25000000  1.0
  Nd  Nd3  1  0.32383580  0.93373771  0.75000000  1.0
  Nd  Nd4  1  0.06626229  0.39009809  0.75000000  1.0
  Nd  Nd5  1  0.39009809  0.32383580  0.25000000  1.0
  Sc  Sc6  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc7  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn8  1  0.66666700  0.33333300  0.75000000  1.0
  Mn  Mn9  1  0.33333300  0.66666700  0.25000000  1.0
  C  C10  1  0.95804444  0.75035068  0.75000000  1.0
  C  C11  1  0.20769377  0.95804444  0.25000000  1.0
  C  C12  1  0.75035068  0.79230623  0.25000000  1.0
  C  C13  1  0.24964932  0.20769377  0.75000000  1.0
  C  C14  1  0.79230623  0.04195556  0.75000000  1.0
  C  C15  1  0.04195556  0.24964932  0.25000000  1.0
  C  C16  1  0.85278306  0.56540924  0.75000000  1.0
  C  C17  1  0.28737283  0.85278306  0.25000000  1.0
  C  C18  1  0.56540924  0.71262717  0.25000000  1.0
  C  C19  1  0.43459076  0.28737283  0.75000000  1.0
  C  C20  1  0.14721694  0.43459076  0.25000000  1.0
  C  C21  1  0.71262717  0.14721694  0.75000000  1.0