# generated using pymatgen
data_NbNi3(HC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85746833
_cell_length_b   4.85746833
_cell_length_c   4.85746833
_cell_angle_alpha   127.74444866
_cell_angle_beta   127.74444866
_cell_angle_gamma   77.03937827
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi3(HC)2
_chemical_formula_sum   'Nb1 Ni3 H2 C2'
_cell_volume   69.56003496
_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
  Nb  Nb0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni2  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1.0
  H  H4  1  0.74341600  0.74341600  0.00000000  1.0
  H  H5  1  0.25658400  0.25658400  0.00000000  1.0
  C  C6  1  0.50000000  0.00000000  0.50000000  1.0
  C  C7  1  0.00000000  0.50000000  0.50000000  1.0