# generated using pymatgen
data_Th2Sc2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44053611
_cell_length_b   6.44053488
_cell_length_c   6.04303892
_cell_angle_alpha   72.71889494
_cell_angle_beta   72.71890010
_cell_angle_gamma   33.21680698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Sc2C3
_chemical_formula_sum   'Th2 Sc2 C3'
_cell_volume   130.55380226
_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
  Th  Th0  1  0.38732931  0.38732931  0.85102582  1.0
  Th  Th1  1  0.61267069  0.61267069  0.14897418  1.0
  Sc  Sc2  1  0.15422167  0.15422167  0.65731604  1.0
  Sc  Sc3  1  0.84577833  0.84577833  0.34268396  1.0
  C  C4  1  0.00000000  0.00000000  0.00000000  1.0
  C  C5  1  0.25155732  0.25155732  0.25411907  1.0
  C  C6  1  0.74844268  0.74844268  0.74588093  1.0