# generated using pymatgen
data_Sc3NiC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45690090
_cell_length_b   4.35461662
_cell_length_c   6.55329841
_cell_angle_alpha   109.40517052
_cell_angle_beta   105.29285853
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3NiC4
_chemical_formula_sum   'Sc3 Ni1 C4'
_cell_volume   89.33386827
_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
  Sc  Sc0  1  0.68728347  0.18728347  0.37456794  1.0
  Sc  Sc1  1  0.31271653  0.81271653  0.62543206  1.0
  Sc  Sc2  1  0.50000000  0.50000000  -0.00000000  1.0
  Ni  Ni3  1  -0.00000000  -0.00000000  -0.00000000  1.0
  C  C4  1  0.12414054  0.45681125  0.24828207  1.0
  C  C5  1  0.87585946  0.54318875  0.75171793  1.0
  C  C6  1  0.12414054  0.79146982  0.24828207  1.0
  C  C7  1  0.87585946  0.20853018  0.75171793  1.0