# generated using pymatgen
data_Sc3NiC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45198187
_cell_length_b   4.37252301
_cell_length_c   11.89845018
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3NiC4
_chemical_formula_sum   'Sc6 Ni2 C8'
_cell_volume   179.59366208
_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  0.50000000  0.00000000  0.18710900  1
  Sc  Sc1  1  0.00000000  0.50000000  0.31289100  1
  Sc  Sc2  1  0.50000000  0.50000000  0.00000000  1
  Sc  Sc3  1  0.00000000  0.50000000  0.68710900  1
  Sc  Sc4  1  0.50000000  0.00000000  0.81289100  1
  Sc  Sc5  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni7  1  0.50000000  0.50000000  0.50000000  1
  C  C8  1  0.00000000  0.33364400  0.12416400  1
  C  C9  1  0.50000000  0.16635600  0.37583600  1
  C  C10  1  0.00000000  0.66635600  0.12416400  1
  C  C11  1  0.50000000  0.83364400  0.37583600  1
  C  C12  1  0.50000000  0.83364400  0.62416400  1
  C  C13  1  0.00000000  0.66635600  0.87583600  1
  C  C14  1  0.50000000  0.16635600  0.62416400  1
  C  C15  1  0.00000000  0.33364400  0.87583600  1
