# generated using pymatgen
data_ScNiC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37339321
_cell_length_b   3.37339321
_cell_length_c   7.25255818
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiC2
_chemical_formula_sum   'Sc2 Ni2 C4'
_cell_volume   82.53252921
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.00000000  0.50000000  0.65720200  1
  Sc  Sc1  1  0.50000000  0.00000000  0.34279800  1
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1
  C  C4  1  0.00000000  0.50000000  0.16394900  1
  C  C5  1  0.50000000  0.00000000  0.83605100  1
  C  C6  1  0.00000000  0.50000000  0.35351200  1
  C  C7  1  0.50000000  0.00000000  0.64648800  1
