# generated using pymatgen
data_Nd3MgMnC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36489976
_cell_length_b   8.36489954
_cell_length_c   5.29988914
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3MgMnC6
_chemical_formula_sum   'Nd6 Mg2 Mn2 C12'
_cell_volume   321.15815780
_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  0.60797754  0.67839067  0.75000000  1.0
  Nd  Nd1  1  0.92958687  0.60797754  0.25000000  1.0
  Nd  Nd2  1  0.67839067  0.07041313  0.25000000  1.0
  Nd  Nd3  1  0.32160933  0.92958687  0.75000000  1.0
  Nd  Nd4  1  0.07041313  0.39202246  0.75000000  1.0
  Nd  Nd5  1  0.39202246  0.32160933  0.25000000  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg7  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  0.96749687  0.75106934  0.75000000  1.0
  C  C11  1  0.21642753  0.96749687  0.25000000  1.0
  C  C12  1  0.75106934  0.78357247  0.25000000  1.0
  C  C13  1  0.24893066  0.21642753  0.75000000  1.0
  C  C14  1  0.78357247  0.03250313  0.75000000  1.0
  C  C15  1  0.03250313  0.24893066  0.25000000  1.0
  C  C16  1  0.85156543  0.56826146  0.75000000  1.0
  C  C17  1  0.28330298  0.85156543  0.25000000  1.0
  C  C18  1  0.56826146  0.71669702  0.25000000  1.0
  C  C19  1  0.43173854  0.28330298  0.75000000  1.0
  C  C20  1  0.14843457  0.43173854  0.25000000  1.0
  C  C21  1  0.71669702  0.14843457  0.75000000  1.0