# generated using pymatgen
data_ThZr(PPd)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93104672
_cell_length_b   10.83310880
_cell_length_c   13.15319639
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThZr(PPd)3
_chemical_formula_sum   'Th4 Zr4 P12 Pd12'
_cell_volume   560.13487598
_cell_formula_units_Z   4
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  0.07116945  0.21196915  1.0
  Th  Th1  1  0.75000000  0.92883055  0.78803085  1.0
  Th  Th2  1  0.75000000  0.57116945  0.28803085  1.0
  Th  Th3  1  0.25000000  0.42883055  0.71196915  1.0
  Zr  Zr4  1  0.25000000  0.16726908  0.49379665  1.0
  Zr  Zr5  1  0.75000000  0.83273092  0.50620335  1.0
  Zr  Zr6  1  0.75000000  0.66726908  0.00620335  1.0
  Zr  Zr7  1  0.25000000  0.33273092  0.99379665  1.0
  P  P8  1  0.25000000  0.94155483  0.61275212  1.0
  P  P9  1  0.75000000  0.05844517  0.38724788  1.0
  P  P10  1  0.75000000  0.44155483  0.88724788  1.0
  P  P11  1  0.25000000  0.55844517  0.11275212  1.0
  P  P12  1  0.25000000  0.38946682  0.39882391  1.0
  P  P13  1  0.75000000  0.61053318  0.60117609  1.0
  P  P14  1  0.75000000  0.88946682  0.10117609  1.0
  P  P15  1  0.25000000  0.11053318  0.89882391  1.0
  P  P16  1  0.25000000  0.76604017  0.36607024  1.0
  P  P17  1  0.75000000  0.23395983  0.63392976  1.0
  P  P18  1  0.75000000  0.26604017  0.13392976  1.0
  P  P19  1  0.25000000  0.73395983  0.86607024  1.0
  Pd  Pd20  1  0.25000000  0.73063234  0.66645998  1.0
  Pd  Pd21  1  0.75000000  0.26936766  0.33354002  1.0
  Pd  Pd22  1  0.75000000  0.23063234  0.83354002  1.0
  Pd  Pd23  1  0.25000000  0.76936766  0.16645998  1.0
  Pd  Pd24  1  0.25000000  0.36944019  0.20737372  1.0
  Pd  Pd25  1  0.75000000  0.63055981  0.79262628  1.0
  Pd  Pd26  1  0.75000000  0.86944019  0.29262628  1.0
  Pd  Pd27  1  0.25000000  0.13055981  0.70737372  1.0
  Pd  Pd28  1  0.25000000  0.59587530  0.48405637  1.0
  Pd  Pd29  1  0.75000000  0.40412470  0.51594363  1.0
  Pd  Pd30  1  0.75000000  0.09587530  0.01594363  1.0
  Pd  Pd31  1  0.25000000  0.90412470  0.98405637  1.0