# generated using pymatgen
data_Ce3ThAl5Tc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43849169
_cell_length_b   5.47835715
_cell_length_c   9.04482958
_cell_angle_alpha   90.00000293
_cell_angle_beta   90.02232833
_cell_angle_gamma   120.24278094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3ThAl5Tc3
_chemical_formula_sum   'Ce3 Th1 Al5 Tc3'
_cell_volume   232.80489761
_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
  Ce  Ce0  1  0.35719369  0.67859685  0.45974932  1.0
  Ce  Ce1  1  0.64978025  0.32489012  0.55340691  1.0
  Ce  Ce2  1  0.65415149  0.32707525  0.94388556  1.0
  Th  Th3  1  0.35298812  0.67649456  0.04368397  1.0
  Al  Al4  1  0.84863885  0.17101632  0.25151270  1.0
  Al  Al5  1  0.84863885  0.67762253  0.25151270  1.0
  Al  Al6  1  0.33202260  0.16601130  0.25102362  1.0
  Al  Al7  1  0.15377750  0.83330122  0.74924911  1.0
  Al  Al8  1  0.15377750  0.32047428  0.74924911  1.0
  Tc  Tc9  1  0.99581258  0.99790629  0.50030807  1.0
  Tc  Tc10  1  0.00131449  0.00065774  0.00063559  1.0
  Tc  Tc11  1  0.65190308  0.82595154  0.74578235  1.0