# generated using pymatgen
data_Sc2Ir6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65767368
_cell_length_b   5.65767408
_cell_length_c   5.65767385
_cell_angle_alpha   60.00000133
_cell_angle_beta   59.99999899
_cell_angle_gamma   59.99999834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ir6C
_chemical_formula_sum   'Sc2 Ir6 C1'
_cell_volume   128.05564435
_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  0.25000000  0.25000000  0.25000000  1.0
  Sc  Sc1  1  0.75000000  0.75000000  0.75000000  1.0
  Ir  Ir2  1  0.74315189  0.25684911  0.25684911  1.0
  Ir  Ir3  1  0.25684911  0.74315189  0.25684911  1.0
  Ir  Ir4  1  0.74314989  0.74314989  0.25685011  1.0
  Ir  Ir5  1  0.25684911  0.25684911  0.74315189  1.0
  Ir  Ir6  1  0.74314989  0.25685011  0.74314989  1.0
  Ir  Ir7  1  0.25685011  0.74314989  0.74314989  1.0
  C  C8  1  0.00000000  0.00000000  0.00000000  1.0