# generated using pymatgen
data_Nb4P2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.27775733
_cell_length_b   10.27775802
_cell_length_c   3.37539978
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4P2C
_chemical_formula_sum   'Nb12 P6 C3'
_cell_volume   308.78243875
_cell_formula_units_Z   3
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
  Nb  Nb0  1  0.81637408  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.18362592  0.18362592  0.00000000  1.0
  Nb  Nb2  1  1.00000000  0.81637408  0.00000000  1.0
  Nb  Nb3  1  0.00000000  0.53262175  0.00000000  1.0
  Nb  Nb4  1  0.46737825  0.46737825  0.00000000  1.0
  Nb  Nb5  1  0.53262175  1.00000000  0.00000000  1.0
  Nb  Nb6  1  0.45254684  0.20706380  0.50000000  1.0
  Nb  Nb7  1  0.79293620  0.24548304  0.50000000  1.0
  Nb  Nb8  1  0.75451696  0.54745316  0.50000000  1.0
  Nb  Nb9  1  0.54745316  0.75451696  0.50000000  1.0
  Nb  Nb10  1  0.24548304  0.79293620  0.50000000  1.0
  Nb  Nb11  1  0.20706380  0.45254684  0.50000000  1.0
  P  P12  1  0.00000000  0.00000000  0.50000000  1.0
  P  P13  1  0.66666700  0.33333300  0.00000000  1.0
  P  P14  1  0.33333300  0.66666700  0.00000000  1.0
  P  P15  1  1.00000000  0.28120904  0.00000000  1.0
  P  P16  1  0.71879096  0.71879096  0.00000000  1.0
  P  P17  1  0.28120904  0.00000000  0.00000000  1.0
  C  C18  1  1.00000000  0.67142601  0.50000000  1.0
  C  C19  1  0.32857399  0.32857399  0.50000000  1.0
  C  C20  1  0.67142601  0.00000000  0.50000000  1.0