# generated using pymatgen data_HfCrFe4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56674492 _cell_length_b 10.29082544 _cell_length_c 11.67904237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrFe4P3 _chemical_formula_sum 'Hf4 Cr4 Fe16 P12' _cell_volume 428.67632301 _cell_formula_units_Z 4 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 0.58063683 0.70699302 1.0 Hf Hf1 1 0.25000000 0.91936317 0.20699302 1.0 Hf Hf2 1 0.75000000 0.41936317 0.29300698 1.0 Hf Hf3 1 0.75000000 0.08063683 0.79300698 1.0 Cr Cr4 1 0.25000000 0.70283836 0.98452869 1.0 Cr Cr5 1 0.25000000 0.79716164 0.48452869 1.0 Cr Cr6 1 0.75000000 0.29716164 0.01547131 1.0 Cr Cr7 1 0.75000000 0.20283836 0.51547131 1.0 Fe Fe8 1 0.25000000 0.40531588 0.48379833 1.0 Fe Fe9 1 0.25000000 0.09468512 0.98379833 1.0 Fe Fe10 1 0.75000000 0.59468412 0.51620167 1.0 Fe Fe11 1 0.75000000 0.90531588 0.01620167 1.0 Fe Fe12 1 0.25000000 0.22222681 0.17379745 1.0 Fe Fe13 1 0.25000000 0.27777319 0.67379745 1.0 Fe Fe14 1 0.75000000 0.77777319 0.82620255 1.0 Fe Fe15 1 0.75000000 0.72222681 0.32620255 1.0 Fe Fe16 1 0.25000000 0.87320156 0.70417311 1.0 Fe Fe17 1 0.25000000 0.62679844 0.20417311 1.0 Fe Fe18 1 0.75000000 0.12679844 0.29582689 1.0 Fe Fe19 1 0.75000000 0.37320156 0.79582689 1.0 Fe Fe20 1 0.25000000 0.46096978 0.93021573 1.0 Fe Fe21 1 0.25000000 0.03903022 0.43021573 1.0 Fe Fe22 1 0.75000000 0.53903022 0.06978427 1.0 Fe Fe23 1 0.75000000 0.96096978 0.56978427 1.0 P P24 1 0.25000000 0.42855467 0.11623346 1.0 P P25 1 0.25000000 0.07144533 0.61623346 1.0 P P26 1 0.75000000 0.57144533 0.88376654 1.0 P P27 1 0.75000000 0.92855467 0.38376654 1.0 P P28 1 0.25000000 0.26133778 0.86814504 1.0 P P29 1 0.25000000 0.23866222 0.36814504 1.0 P P30 1 0.75000000 0.73866222 0.13185496 1.0 P P31 1 0.75000000 0.76133778 0.63185496 1.0 P P32 1 0.25000000 0.59037157 0.39200480 1.0 P P33 1 0.25000000 0.90962843 0.89200480 1.0 P P34 1 0.75000000 0.40962843 0.60799520 1.0 P P35 1 0.75000000 0.09037157 0.10799520 1.0