# generated using pymatgen data_Hf3Zr15(CuP2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.05820262 _cell_length_b 12.05820262 _cell_length_c 3.69759917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.01248253 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr15(CuP2)4 _chemical_formula_sum 'Hf3 Zr15 Cu4 P8' _cell_volume 537.63183293 _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 Hf Hf0 1 0.09562629 0.40437371 0.00000000 1.0 Hf Hf1 1 0.40491687 0.90516302 0.00000000 1.0 Hf Hf2 1 0.59483698 0.09508313 0.00000000 1.0 Zr Zr3 1 0.00001679 0.00013542 0.00000000 1.0 Zr Zr4 1 0.49986458 0.49998321 0.00000000 1.0 Zr Zr5 1 0.10301520 0.18083030 0.50000000 1.0 Zr Zr6 1 0.18177357 0.89735251 0.50000000 1.0 Zr Zr7 1 0.81871530 0.10272603 0.50000000 1.0 Zr Zr8 1 0.89732678 0.81976529 0.50000000 1.0 Zr Zr9 1 0.39727397 0.68128470 0.50000000 1.0 Zr Zr10 1 0.60264749 0.31822643 0.50000000 1.0 Zr Zr11 1 0.68023471 0.60267322 0.50000000 1.0 Zr Zr12 1 0.31916970 0.39698480 0.50000000 1.0 Zr Zr13 1 0.90453697 0.59546303 0.00000000 1.0 Zr Zr14 1 0.38360910 0.11639090 0.50000000 1.0 Zr Zr15 1 0.11763893 0.61613555 0.50000000 1.0 Zr Zr16 1 0.88386445 0.38236107 0.50000000 1.0 Zr Zr17 1 0.61603244 0.88396756 0.50000000 1.0 Cu Cu18 1 0.25563478 0.24436522 0.00000000 1.0 Cu Cu19 1 0.24464321 0.74445584 0.00000000 1.0 Cu Cu20 1 0.75554416 0.25535679 0.00000000 1.0 Cu Cu21 1 0.74330871 0.75669129 0.00000000 1.0 P P22 1 0.22549360 0.05332102 0.00000000 1.0 P P23 1 0.05413027 0.77538992 0.00000000 1.0 P P24 1 0.94687419 0.22513824 0.00000000 1.0 P P25 1 0.77425011 0.94712897 0.00000000 1.0 P P26 1 0.27486176 0.55312581 0.00000000 1.0 P P27 1 0.72461008 0.44586973 0.00000000 1.0 P P28 1 0.55287103 0.72574989 0.00000000 1.0 P P29 1 0.44667898 0.27450640 0.00000000 1.0