# generated using pymatgen
data_Th3Co7(P3Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86169071
_cell_length_b   10.71955757
_cell_length_c   12.53708847
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Co7(P3Ir)2
_chemical_formula_sum   'Th6 Co14 P12 Ir4'
_cell_volume   518.98049918
_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  0.75000000  0.25000000  0.48383844  1.0
  Th  Th1  1  0.25000000  0.75000000  0.51616156  1.0
  Th  Th2  1  0.25000000  0.93817495  0.79453470  1.0
  Th  Th3  1  0.25000000  0.56182505  0.79453470  1.0
  Th  Th4  1  0.75000000  0.06182505  0.20546530  1.0
  Th  Th5  1  0.75000000  0.43817495  0.20546530  1.0
  Co  Co6  1  0.75000000  0.25000000  0.01202546  1.0
  Co  Co7  1  0.25000000  0.75000000  0.98797454  1.0
  Co  Co8  1  0.25000000  0.41739803  0.00661177  1.0
  Co  Co9  1  0.25000000  0.08260197  0.00661177  1.0
  Co  Co10  1  0.75000000  0.58260197  0.99338823  1.0
  Co  Co11  1  0.75000000  0.91739803  0.99338823  1.0
  Co  Co12  1  0.25000000  0.44851640  0.57307299  1.0
  Co  Co13  1  0.25000000  0.05148360  0.57307299  1.0
  Co  Co14  1  0.75000000  0.55148360  0.42692701  1.0
  Co  Co15  1  0.75000000  0.94851640  0.42692701  1.0
  Co  Co16  1  0.25000000  0.86594705  0.28193474  1.0
  Co  Co17  1  0.25000000  0.63405295  0.28193474  1.0
  Co  Co18  1  0.75000000  0.13405295  0.71806526  1.0
  Co  Co19  1  0.75000000  0.36594705  0.71806526  1.0
  P  P20  1  0.25000000  0.25000000  0.10845254  1.0
  P  P21  1  0.75000000  0.75000000  0.89154746  1.0
  P  P22  1  0.25000000  0.25000000  0.66075139  1.0
  P  P23  1  0.75000000  0.75000000  0.33924861  1.0
  P  P24  1  0.25000000  0.45269429  0.39026328  1.0
  P  P25  1  0.25000000  0.04730571  0.39026328  1.0
  P  P26  1  0.75000000  0.54730571  0.60973672  1.0
  P  P27  1  0.75000000  0.95269429  0.60973672  1.0
  P  P28  1  0.25000000  0.90434640  0.09740649  1.0
  P  P29  1  0.25000000  0.59565360  0.09740649  1.0
  P  P30  1  0.75000000  0.09565360  0.90259351  1.0
  P  P31  1  0.75000000  0.40434640  0.90259351  1.0
  Ir  Ir32  1  0.25000000  0.25000000  0.84772721  1.0
  Ir  Ir33  1  0.75000000  0.75000000  0.15227279  1.0
  Ir  Ir34  1  0.25000000  0.25000000  0.29926271  1.0
  Ir  Ir35  1  0.75000000  0.75000000  0.70073729  1.0