# generated using pymatgen
data_Tb3ScRuC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45249966
_cell_length_b   8.45249899
_cell_length_c   5.14357985
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3ScRuC6
_chemical_formula_sum   'Tb6 Sc2 Ru2 C12'
_cell_volume   318.24852113
_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
  Tb  Tb0  1  0.62566842  0.67518530  0.75000000  1.0
  Tb  Tb1  1  0.95048312  0.62566842  0.25000000  1.0
  Tb  Tb2  1  0.67518530  0.04951688  0.25000000  1.0
  Tb  Tb3  1  0.32481470  0.95048312  0.75000000  1.0
  Tb  Tb4  1  0.04951688  0.37433158  0.75000000  1.0
  Tb  Tb5  1  0.37433158  0.32481470  0.25000000  1.0
  Sc  Sc6  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc7  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru8  1  0.66666700  0.33333300  0.75000000  1.0
  Ru  Ru9  1  0.33333300  0.66666700  0.25000000  1.0
  C  C10  1  0.96821142  0.75840126  0.75000000  1.0
  C  C11  1  0.20981116  0.96821142  0.25000000  1.0
  C  C12  1  0.75840126  0.79018884  0.25000000  1.0
  C  C13  1  0.24159874  0.20981116  0.75000000  1.0
  C  C14  1  0.79018884  0.03178858  0.75000000  1.0
  C  C15  1  0.03178858  0.24159874  0.25000000  1.0
  C  C16  1  0.87386892  0.57431436  0.75000000  1.0
  C  C17  1  0.29955456  0.87386892  0.25000000  1.0
  C  C18  1  0.57431436  0.70044544  0.25000000  1.0
  C  C19  1  0.42568564  0.29955456  0.75000000  1.0
  C  C20  1  0.12613108  0.42568564  0.25000000  1.0
  C  C21  1  0.70044544  0.12613108  0.75000000  1.0