# generated using pymatgen data_Hf7Co16MoP12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61581628 _cell_length_b 11.89901463 _cell_length_c 11.89901443 _cell_angle_alpha 120.17550653 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf7Co16MoP12 _chemical_formula_sum 'Hf7 Co16 Mo1 P12' _cell_volume 442.57634623 _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 0.00000000 0.55640144 0.99979132 1.0 Hf Hf1 1 0.00000000 0.99979132 0.55640144 1.0 Hf Hf2 1 0.00000000 0.66587447 0.33397005 1.0 Hf Hf3 1 0.00000000 0.33397005 0.66587447 1.0 Hf Hf4 1 0.50000000 0.81977423 0.81977423 1.0 Hf Hf5 1 0.50000000 0.17367618 0.99915002 1.0 Hf Hf6 1 0.50000000 0.99915002 0.17367618 1.0 Co Co7 1 0.00000000 0.19670546 0.37376014 1.0 Co Co8 1 0.00000000 0.17937591 0.80829720 1.0 Co Co9 1 0.00000000 0.81880244 0.62748004 1.0 Co Co10 1 0.00000000 0.80829720 0.17937591 1.0 Co Co11 1 0.00000000 0.37376014 0.19670546 1.0 Co Co12 1 0.50000000 0.13010365 0.48335228 1.0 Co Co13 1 0.50000000 0.35562608 0.87401364 1.0 Co Co14 1 0.50000000 0.51510648 0.64292934 1.0 Co Co15 1 0.50000000 0.64292934 0.51510648 1.0 Co Co16 1 0.50000000 0.87401364 0.35562608 1.0 Co Co17 1 0.50000000 0.48335228 0.13010365 1.0 Co Co18 1 0.00000000 0.00028975 0.00028975 1.0 Co Co19 1 0.50000000 0.72188882 0.00081106 1.0 Co Co20 1 0.50000000 0.00081106 0.72188882 1.0 Co Co21 1 0.00000000 0.62748004 0.81880244 1.0 Co Co22 1 0.50000000 0.27917662 0.27917662 1.0 Mo Mo23 1 0.00000000 0.44793940 0.44793940 1.0 P P24 1 0.00000000 0.64342579 0.64342579 1.0 P P25 1 0.00000000 0.34685661 0.00366144 1.0 P P26 1 0.00000000 0.00366144 0.34685661 1.0 P P27 1 0.50000000 0.48044068 0.31416482 1.0 P P28 1 0.50000000 0.69129127 0.17448681 1.0 P P29 1 0.50000000 0.82563690 0.51688348 1.0 P P30 1 0.50000000 0.51688348 0.82563690 1.0 P P31 1 0.50000000 0.17448681 0.69129127 1.0 P P32 1 0.00000000 0.82411816 0.99811127 1.0 P P33 1 0.00000000 0.99811127 0.82411816 1.0 P P34 1 0.50000000 0.31416482 0.48044068 1.0 P P35 1 0.00000000 0.17662472 0.17662472 1.0