# generated using pymatgen
data_Nd6Al2CO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08629866
_cell_length_b   7.08629763
_cell_length_c   7.08629705
_cell_angle_alpha   59.99999808
_cell_angle_beta   60.00000287
_cell_angle_gamma   60.00000247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6Al2CO
_chemical_formula_sum   'Nd6 Al2 C1 O1'
_cell_volume   251.61887010
_cell_formula_units_Z   1
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  0.74920357  0.25079643  0.25079643  1.0
  Nd  Nd1  1  0.74920357  0.25079643  0.74920357  1.0
  Nd  Nd2  1  0.25079643  0.74920357  0.25079643  1.0
  Nd  Nd3  1  0.25079643  0.25079643  0.74920357  1.0
  Nd  Nd4  1  0.74920357  0.74920357  0.25079643  1.0
  Nd  Nd5  1  0.25079643  0.74920357  0.74920357  1.0
  Al  Al6  1  0.75000000  0.75000000  0.75000000  1.0
  Al  Al7  1  0.25000000  0.25000000  0.25000000  1.0
  C  C8  1  0.50000000  0.50000000  0.50000000  1.0
  O  O9  1  0.00000000  0.00000000  0.00000000  1.0