# generated using pymatgen data_Hf9CrRe3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60807490 _cell_length_b 8.60807391 _cell_length_c 8.50327614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999623 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9CrRe3Se _chemical_formula_sum 'Hf18 Cr2 Re6 Se2' _cell_volume 545.66858957 _cell_formula_units_Z 2 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 0.18877109 0.81122891 0.44790648 1.0 Hf Hf1 1 0.18877109 0.37754119 0.44790648 1.0 Hf Hf2 1 0.62245881 0.81122891 0.44790648 1.0 Hf Hf3 1 0.81122891 0.18877109 0.55209352 1.0 Hf Hf4 1 0.81122891 0.62245881 0.55209352 1.0 Hf Hf5 1 0.37754119 0.18877109 0.55209352 1.0 Hf Hf6 1 0.81122891 0.18877109 0.94790648 1.0 Hf Hf7 1 0.81122891 0.62245881 0.94790648 1.0 Hf Hf8 1 0.37754119 0.18877109 0.94790648 1.0 Hf Hf9 1 0.18877109 0.81122891 0.05209352 1.0 Hf Hf10 1 0.18877109 0.37754119 0.05209352 1.0 Hf Hf11 1 0.62245881 0.81122891 0.05209352 1.0 Hf Hf12 1 0.54698065 0.45301935 0.25000000 1.0 Hf Hf13 1 0.54698065 0.09396129 0.25000000 1.0 Hf Hf14 1 0.90603871 0.45301935 0.25000000 1.0 Hf Hf15 1 0.45301935 0.54698065 0.75000000 1.0 Hf Hf16 1 0.45301935 0.90603871 0.75000000 1.0 Hf Hf17 1 0.09396129 0.54698065 0.75000000 1.0 Cr Cr18 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr19 1 0.00000000 0.00000000 0.00000000 1.0 Re Re20 1 0.89072811 0.10927189 0.25000000 1.0 Re Re21 1 0.89072811 0.78145823 0.25000000 1.0 Re Re22 1 0.21854177 0.10927189 0.25000000 1.0 Re Re23 1 0.10927189 0.89072811 0.75000000 1.0 Re Re24 1 0.10927189 0.21854177 0.75000000 1.0 Re Re25 1 0.78145823 0.89072811 0.75000000 1.0 Se Se26 1 0.33333300 0.66666700 0.25000000 1.0 Se Se27 1 0.66666700 0.33333300 0.75000000 1.0