# generated using pymatgen data_Hf2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58496007 _cell_length_b 12.21962583 _cell_length_c 15.00803885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2P _chemical_formula_sum 'Hf24 P12' _cell_volume 657.45521693 _cell_formula_units_Z 12 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 0.88401235 0.91535396 1.0 Hf Hf1 1 0.00000000 0.11598765 0.08464604 1.0 Hf Hf2 1 0.50000000 0.38401235 0.58464604 1.0 Hf Hf3 1 0.50000000 0.61598765 0.41535396 1.0 Hf Hf4 1 -0.00000000 0.81301616 0.70935264 1.0 Hf Hf5 1 0.00000000 0.18698384 0.29064736 1.0 Hf Hf6 1 0.50000000 0.31301616 0.79064736 1.0 Hf Hf7 1 0.50000000 0.68698384 0.20935264 1.0 Hf Hf8 1 0.00000000 0.47431716 0.89380803 1.0 Hf Hf9 1 -0.00000000 0.52568284 0.10619197 1.0 Hf Hf10 1 0.50000000 0.97431716 0.60619197 1.0 Hf Hf11 1 0.50000000 0.02568284 0.39380803 1.0 Hf Hf12 1 -0.00000000 0.09777842 0.75382137 1.0 Hf Hf13 1 -0.00000000 0.90222158 0.24617863 1.0 Hf Hf14 1 0.50000000 0.59777842 0.74617863 1.0 Hf Hf15 1 0.50000000 0.40222158 0.25382137 1.0 Hf Hf16 1 0.00000000 0.15989805 0.52201561 1.0 Hf Hf17 1 0.00000000 0.84010195 0.47798339 1.0 Hf Hf18 1 0.50000000 0.65989805 0.97798439 1.0 Hf Hf19 1 0.50000000 0.34010195 0.02201561 1.0 Hf Hf20 1 -0.00000000 0.58836445 0.57619941 1.0 Hf Hf21 1 -0.00000000 0.41163555 0.42380059 1.0 Hf Hf22 1 0.50000000 0.08836445 0.92380059 1.0 Hf Hf23 1 0.50000000 0.91163555 0.07619941 1.0 P P24 1 0.00000000 0.68793550 0.85035362 1.0 P P25 1 -0.00000000 0.31206450 0.14964538 1.0 P P26 1 0.50000000 0.18793550 0.64964638 1.0 P P27 1 0.50000000 0.81206450 0.35035362 1.0 P P28 1 0.00000000 0.44365608 0.71193739 1.0 P P29 1 0.00000000 0.55634392 0.28806261 1.0 P P30 1 0.50000000 0.94365608 0.78806261 1.0 P P31 1 0.50000000 0.05634392 0.21193839 1.0 P P32 1 0.00000000 0.24505615 0.90867094 1.0 P P33 1 0.00000000 0.75494385 0.09132906 1.0 P P34 1 0.50000000 0.74505615 0.59132906 1.0 P P35 1 0.50000000 0.25494385 0.40867094 1.0