# generated using pymatgen
data_Th6MgCd22P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95816161
_cell_length_b   9.95816148
_cell_length_c   9.95816008
_cell_angle_alpha   59.99999493
_cell_angle_beta   59.99999536
_cell_angle_gamma   59.99999461
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6MgCd22P
_chemical_formula_sum   'Th6 Mg1 Cd22 P1'
_cell_volume   698.26840286
_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
  Th  Th0  1  0.79612050  0.79612050  0.20387950  1.0
  Th  Th1  1  0.20387950  0.79612050  0.20387950  1.0
  Th  Th2  1  0.79612050  0.20387950  0.20387950  1.0
  Th  Th3  1  0.20387950  0.20387950  0.79612050  1.0
  Th  Th4  1  0.79612050  0.20387950  0.79612050  1.0
  Th  Th5  1  0.20387950  0.79612050  0.79612050  1.0
  Mg  Mg6  1  0.50000000  0.50000000  0.50000000  1.0
  Cd  Cd7  1  0.83245196  0.83245196  0.50264313  1.0
  Cd  Cd8  1  0.83245196  0.50264313  0.83245196  1.0
  Cd  Cd9  1  0.50264313  0.83245196  0.83245196  1.0
  Cd  Cd10  1  0.83245196  0.83245196  0.83245196  1.0
  Cd  Cd11  1  0.16754804  0.16754804  0.49735687  1.0
  Cd  Cd12  1  0.16754804  0.49735687  0.16754804  1.0
  Cd  Cd13  1  0.49735687  0.16754804  0.16754804  1.0
  Cd  Cd14  1  0.16754804  0.16754804  0.16754804  1.0
  Cd  Cd15  1  0.62042055  0.62042055  0.13873735  1.0
  Cd  Cd16  1  0.62042055  0.13873735  0.62042055  1.0
  Cd  Cd17  1  0.13873735  0.62042055  0.62042055  1.0
  Cd  Cd18  1  0.62042055  0.62042055  0.62042055  1.0
  Cd  Cd19  1  0.37957945  0.37957945  0.86126265  1.0
  Cd  Cd20  1  0.37957945  0.86126265  0.37957945  1.0
  Cd  Cd21  1  0.86126265  0.37957945  0.37957945  1.0
  Cd  Cd22  1  0.37957945  0.37957945  0.37957945  1.0
  Cd  Cd23  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd24  1  0.50000000  0.00000000  0.50000000  1.0
  Cd  Cd25  1  0.00000000  0.50000000  0.50000000  1.0
  Cd  Cd26  1  0.50000000  0.50000000  0.00000000  1.0
  Cd  Cd27  1  0.00000000  0.50000000  0.00000000  1.0
  Cd  Cd28  1  0.50000000  0.00000000  0.00000000  1.0
  P  P29  1  0.00000000  0.00000000  0.00000000  1.0