# generated using pymatgen
data_Ca(ThPd4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89008918
_cell_length_b   5.89008890
_cell_length_c   9.66292671
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000154
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(ThPd4)3
_chemical_formula_sum   'Ca1 Th3 Pd12'
_cell_volume   290.32406159
_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  0.33333300  0.66666700  0.25000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.49226629  1.0
  Th  Th2  1  0.00000000  0.00000000  0.00773371  1.0
  Th  Th3  1  0.66666700  0.33333300  0.75000000  1.0
  Pd  Pd4  1  0.50019003  0.49980997  0.50049087  1.0
  Pd  Pd5  1  0.50019003  0.00037805  0.50049087  1.0
  Pd  Pd6  1  0.99962195  0.49980997  0.50049087  1.0
  Pd  Pd7  1  0.50019003  0.49980997  0.99950913  1.0
  Pd  Pd8  1  0.50019003  0.00037805  0.99950913  1.0
  Pd  Pd9  1  0.99962195  0.49980997  0.99950913  1.0
  Pd  Pd10  1  0.82376932  0.64753764  0.25000000  1.0
  Pd  Pd11  1  0.35246236  0.17623068  0.25000000  1.0
  Pd  Pd12  1  0.82376932  0.17623068  0.25000000  1.0
  Pd  Pd13  1  0.17383138  0.34766277  0.75000000  1.0
  Pd  Pd14  1  0.65233723  0.82616862  0.75000000  1.0
  Pd  Pd15  1  0.17383138  0.82616862  0.75000000  1.0