# generated using pymatgen
data_CaTh3(ZnPd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39241989
_cell_length_b   6.99911953
_cell_length_c   8.04870019
_cell_angle_alpha   88.80214984
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTh3(ZnPd)4
_chemical_formula_sum   'Ca1 Th3 Zn4 Pd4'
_cell_volume   247.38769441
_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  0.25000000  0.03285702  0.30355730  1.0
  Th  Th1  1  0.25000000  0.53936245  0.19586423  1.0
  Th  Th2  1  0.75000000  0.46448699  0.80614232  1.0
  Th  Th3  1  0.75000000  0.96774943  0.68612104  1.0
  Zn  Zn4  1  0.25000000  0.65141510  0.56569435  1.0
  Zn  Zn5  1  0.75000000  0.34272496  0.43175986  1.0
  Zn  Zn6  1  0.75000000  0.86266899  0.06804304  1.0
  Zn  Zn7  1  0.25000000  0.13983709  0.93888043  1.0
  Pd  Pd8  1  0.25000000  0.75815008  0.88749366  1.0
  Pd  Pd9  1  0.75000000  0.24937131  0.10758028  1.0
  Pd  Pd10  1  0.75000000  0.73067086  0.39283393  1.0
  Pd  Pd11  1  0.25000000  0.26070573  0.61602755  1.0