# generated using pymatgen data_Hf8Ni12(As3P)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68421710 _cell_length_b 10.22027326 _cell_length_c 12.48320770 _cell_angle_alpha 89.97558802 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Ni12(As3P)3 _chemical_formula_sum 'Hf8 Ni12 As9 P3' _cell_volume 470.03898345 _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 0.25000000 0.32660005 0.99469618 1.0 Hf Hf1 1 0.25000000 0.17191530 0.49423929 1.0 Hf Hf2 1 0.75000000 0.67344273 0.00734898 1.0 Hf Hf3 1 0.75000000 0.83221895 0.50399390 1.0 Hf Hf4 1 0.25000000 0.43066963 0.71075812 1.0 Hf Hf5 1 0.25000000 0.06313829 0.20394200 1.0 Hf Hf6 1 0.75000000 0.56244794 0.29483089 1.0 Hf Hf7 1 0.75000000 0.93722792 0.79532568 1.0 Ni Ni8 1 0.25000000 0.91435888 0.98727288 1.0 Ni Ni9 1 0.25000000 0.58712583 0.47804568 1.0 Ni Ni10 1 0.75000000 0.08702514 0.01382295 1.0 Ni Ni11 1 0.75000000 0.40505781 0.50772707 1.0 Ni Ni12 1 0.25000000 0.13833807 0.72309859 1.0 Ni Ni13 1 0.25000000 0.36169689 0.22080133 1.0 Ni Ni14 1 0.75000000 0.86210510 0.27706562 1.0 Ni Ni15 1 0.75000000 0.64082479 0.78485887 1.0 Ni Ni16 1 0.25000000 0.78496801 0.15869904 1.0 Ni Ni17 1 0.25000000 0.72280653 0.66284236 1.0 Ni Ni18 1 0.75000000 0.21527757 0.84205571 1.0 Ni Ni19 1 0.75000000 0.28152482 0.33797642 1.0 As As20 1 0.75000000 0.59982956 0.60115900 1.0 As As21 1 0.25000000 0.74523403 0.85708500 1.0 As As22 1 0.25000000 0.75872441 0.35378528 1.0 As As23 1 0.75000000 0.25655192 0.14458909 1.0 As As24 1 0.75000000 0.24290112 0.64551535 1.0 As As25 1 0.25000000 0.55409412 0.12637991 1.0 As As26 1 0.25000000 0.94828247 0.62569269 1.0 As As27 1 0.75000000 0.44608354 0.87603018 1.0 As As28 1 0.75000000 0.05378880 0.37288881 1.0 P P29 1 0.25000000 0.10287829 0.89976243 1.0 P P30 1 0.25000000 0.39494906 0.39699358 1.0 P P31 1 0.75000000 0.89790945 0.10071714 1.0