# generated using pymatgen
data_Th2Cu3P4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86770478
_cell_length_b   9.11242196
_cell_length_c   9.89027602
_cell_angle_alpha   90.71439457
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Cu3P4Pd
_chemical_formula_sum   'Th4 Cu6 P8 Pd2'
_cell_volume   348.54735486
_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
  Th  Th0  1  0.25000000  0.25060342  0.68934192  1.0
  Th  Th1  1  0.75000000  0.74939658  0.31065808  1.0
  Th  Th2  1  0.25000000  0.74893122  0.80991615  1.0
  Th  Th3  1  0.75000000  0.25106878  0.19008385  1.0
  Cu  Cu4  1  0.75000000  0.06783136  0.45022058  1.0
  Cu  Cu5  1  0.25000000  0.93216864  0.54977942  1.0
  Cu  Cu6  1  0.75000000  0.57535343  0.04294688  1.0
  Cu  Cu7  1  0.25000000  0.42464657  0.95705312  1.0
  Cu  Cu8  1  0.25000000  0.94485872  0.09665469  1.0
  Cu  Cu9  1  0.75000000  0.05514128  0.90334531  1.0
  P  P10  1  0.25000000  0.17125779  0.97469641  1.0
  P  P11  1  0.75000000  0.82874221  0.02530359  1.0
  P  P12  1  0.25000000  0.68104061  0.52472765  1.0
  P  P13  1  0.75000000  0.31895939  0.47527235  1.0
  P  P14  1  0.25000000  0.53249337  0.17400741  1.0
  P  P15  1  0.75000000  0.46750663  0.82599259  1.0
  P  P16  1  0.25000000  0.02229238  0.31964430  1.0
  P  P17  1  0.75000000  0.97770762  0.68035570  1.0
  Pd  Pd18  1  0.25000000  0.44035429  0.39664894  1.0
  Pd  Pd19  1  0.75000000  0.55964571  0.60335106  1.0