# generated using pymatgen
data_CaTh3(Ga3Rh)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58588964
_cell_length_b   7.60970372
_cell_length_c   9.51152625
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.60697760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTh3(Ga3Rh)6
_chemical_formula_sum   'Ca1 Th3 Ga18 Rh6'
_cell_volume   477.37699101
_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
  Ca  Ca0  1  0.32906852  0.00409042  0.25000000  1.0
  Th  Th1  1  0.99947277  0.67092156  0.75000000  1.0
  Th  Th2  1  0.00019592  0.33028634  0.25000000  1.0
  Th  Th3  1  0.66905401  0.99656960  0.75000000  1.0
  Ga  Ga4  1  0.13579259  0.13246366  0.75000000  1.0
  Ga  Ga5  1  0.86874632  0.86952940  0.25000000  1.0
  Ga  Ga6  1  0.00790606  0.33479092  0.57832399  1.0
  Ga  Ga7  1  0.99999676  0.67242973  0.41953830  1.0
  Ga  Ga8  1  0.99999676  0.67242973  0.08046170  1.0
  Ga  Ga9  1  0.33525585  0.00653007  0.92937832  1.0
  Ga  Ga10  1  0.00790606  0.33479092  0.92167601  1.0
  Ga  Ga11  1  0.65715874  0.99273189  0.08048811  1.0
  Ga  Ga12  1  0.65715874  0.99273189  0.41951189  1.0
  Ga  Ga13  1  0.33525585  0.00653007  0.57062168  1.0
  Ga  Ga14  1  0.33784773  0.33289846  0.06420004  1.0
  Ga  Ga15  1  0.66177253  0.66111117  0.94172059  1.0
  Ga  Ga16  1  0.66177253  0.66111117  0.55827941  1.0
  Ga  Ga17  1  0.33784773  0.33289846  0.43579996  1.0
  Ga  Ga18  1  0.34129220  0.54128113  0.75000000  1.0
  Ga  Ga19  1  0.65975615  0.45507273  0.25000000  1.0
  Ga  Ga20  1  0.54296817  0.33776128  0.75000000  1.0
  Ga  Ga21  1  0.45448754  0.66047893  0.25000000  1.0
  Rh  Rh22  1  0.67593166  0.33116274  0.50118204  1.0
  Rh  Rh23  1  0.32749141  0.66894580  0.50194404  1.0
  Rh  Rh24  1  0.32749141  0.66894580  0.99805596  1.0
  Rh  Rh25  1  0.67593166  0.33116274  0.99881796  1.0
  Rh  Rh26  1  0.99622318  0.00017218  0.50166825  1.0
  Rh  Rh27  1  0.99622318  0.00017218  0.99833175  1.0