# generated using pymatgen
data_Mg6NbC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24738055
_cell_length_b   6.24738055
_cell_length_c   4.41119000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.56076385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6NbC
_chemical_formula_sum   'Mg6 Nb1 C1'
_cell_volume   168.04702728
_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
  Mg  Mg0  1  0.79022100  0.59655300  0.00000000  1.0
  Mg  Mg1  1  0.40344700  0.20977900  0.00000000  1.0
  Mg  Mg2  1  0.29530800  0.70469200  0.00000000  1.0
  Mg  Mg3  1  0.57920300  0.87847700  0.50000000  1.0
  Mg  Mg4  1  0.12152300  0.42079700  0.50000000  1.0
  Mg  Mg5  1  0.08310800  0.91689200  0.50000000  1.0
  Nb  Nb6  1  0.87063800  0.12936200  0.00000000  1.0
  C  C7  1  0.85655100  0.14344900  0.50000000  1.0