# generated using pymatgen
data_Ni3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59047378
_cell_length_b   4.59047378
_cell_length_c   12.91426885
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3C
_chemical_formula_sum   'Ni18 C6'
_cell_volume   235.67606444
_cell_formula_units_Z   6
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
  Ni  Ni0  1  0.00516500  0.33849800  0.41666700  1
  Ni  Ni1  1  0.67183200  0.00000000  0.25000000  1
  Ni  Ni2  1  0.00000000  0.67183200  0.25000000  1
  Ni  Ni3  1  0.32816800  0.32816800  0.25000000  1
  Ni  Ni4  1  0.33333300  0.99483500  0.41666700  1
  Ni  Ni5  1  0.66150200  0.66666700  0.41666700  1
  Ni  Ni6  1  0.67183200  0.67183200  0.75000000  1
  Ni  Ni7  1  0.33849800  0.33333300  0.58333300  1
  Ni  Ni8  1  0.66666700  0.00516500  0.58333300  1
  Ni  Ni9  1  0.99483500  0.66150200  0.58333300  1
  Ni  Ni10  1  0.00000000  0.32816800  0.75000000  1
  Ni  Ni11  1  0.32816800  0.00000000  0.75000000  1
  Ni  Ni12  1  0.33849800  0.00516500  0.08333300  1
  Ni  Ni13  1  0.00516500  0.66666700  0.91666700  1
  Ni  Ni14  1  0.33333300  0.33849800  0.91666700  1
  Ni  Ni15  1  0.66150200  0.99483500  0.91666700  1
  Ni  Ni16  1  0.66666700  0.66150200  0.08333300  1
  Ni  Ni17  1  0.99483500  0.33333300  0.08333300  1
  C  C18  1  0.66666700  0.33333300  0.33333300  1
  C  C19  1  0.00000000  0.00000000  0.50000000  1
  C  C20  1  0.33333300  0.66666700  0.66666700  1
  C  C21  1  0.66666700  0.33333300  0.83333300  1
  C  C22  1  0.00000000  0.00000000  0.00000000  1
  C  C23  1  0.33333300  0.66666700  0.16666700  1
