# generated using pymatgen
data_Th2Re17C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02729216
_cell_length_b   7.02729194
_cell_length_c   7.02729172
_cell_angle_alpha   83.19162859
_cell_angle_beta   83.19163827
_cell_angle_gamma   83.19161925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Re17C3
_chemical_formula_sum   'Th2 Re17 C3'
_cell_volume   340.22342288
_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  0.65076210  0.65076210  0.65076210  1.0
  Th  Th1  1  0.34923790  0.34923790  0.34923790  1.0
  Re  Re2  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re3  1  0.50000000  0.00000000  0.00000000  1.0
  Re  Re4  1  0.00000000  0.50000000  0.00000000  1.0
  Re  Re5  1  0.72252520  0.27747480  0.00000000  1.0
  Re  Re6  1  1.00000000  0.72252520  0.27747480  1.0
  Re  Re7  1  0.27747480  0.00000000  0.72252520  1.0
  Re  Re8  1  0.00000000  0.27747480  0.72252520  1.0
  Re  Re9  1  0.72252520  1.00000000  0.27747480  1.0
  Re  Re10  1  0.27747480  0.72252520  1.00000000  1.0
  Re  Re11  1  0.34935387  0.85949051  0.34935387  1.0
  Re  Re12  1  0.34935387  0.34935387  0.85949051  1.0
  Re  Re13  1  0.85949051  0.34935387  0.34935387  1.0
  Re  Re14  1  0.65064613  0.14050949  0.65064613  1.0
  Re  Re15  1  0.65064613  0.65064613  0.14050949  1.0
  Re  Re16  1  0.14050949  0.65064613  0.65064613  1.0
  Re  Re17  1  0.90190861  0.90190861  0.90190861  1.0
  Re  Re18  1  0.09809139  0.09809139  0.09809139  1.0
  C  C19  1  0.50000000  0.50000000  0.00000000  1.0
  C  C20  1  0.00000000  0.50000000  0.50000000  1.0
  C  C21  1  0.50000000  0.00000000  0.50000000  1.0