# generated using pymatgen data_Hf18Nb7TcSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76952517 _cell_length_b 8.76952503 _cell_length_c 8.77049500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999307 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Nb7TcSe2 _chemical_formula_sum 'Hf18 Nb7 Tc1 Se2' _cell_volume 584.12651217 _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 0.19814169 0.80185831 0.45450014 1.0 Hf Hf1 1 0.19814169 0.39628438 0.45450014 1.0 Hf Hf2 1 0.60371562 0.80185831 0.45450014 1.0 Hf Hf3 1 0.80185831 0.19814169 0.54549986 1.0 Hf Hf4 1 0.80185831 0.60371562 0.54549986 1.0 Hf Hf5 1 0.39628438 0.19814169 0.54549986 1.0 Hf Hf6 1 0.80481301 0.19518699 0.95251361 1.0 Hf Hf7 1 0.80481301 0.60962502 0.95251361 1.0 Hf Hf8 1 0.39037498 0.19518699 0.95251361 1.0 Hf Hf9 1 0.19518699 0.80481301 0.04748639 1.0 Hf Hf10 1 0.19518699 0.39037498 0.04748639 1.0 Hf Hf11 1 0.60962502 0.80481301 0.04748639 1.0 Hf Hf12 1 0.54287304 0.45712696 0.24794646 1.0 Hf Hf13 1 0.54287304 0.08574508 0.24794646 1.0 Hf Hf14 1 0.91425492 0.45712696 0.24794646 1.0 Hf Hf15 1 0.45712696 0.54287304 0.75205354 1.0 Hf Hf16 1 0.45712696 0.91425492 0.75205354 1.0 Hf Hf17 1 0.08574508 0.54287304 0.75205354 1.0 Nb Nb18 1 0.88835135 0.11164865 0.24771625 1.0 Nb Nb19 1 0.88835135 0.77670370 0.24771625 1.0 Nb Nb20 1 0.22329630 0.11164865 0.24771625 1.0 Nb Nb21 1 0.11164865 0.88835135 0.75228375 1.0 Nb Nb22 1 0.11164865 0.22329630 0.75228375 1.0 Nb Nb23 1 0.77670370 0.88835135 0.75228375 1.0 Nb Nb24 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc25 1 0.00000000 0.00000000 0.00000000 1.0 Se Se26 1 0.33333300 0.66666700 0.24730753 1.0 Se Se27 1 0.66666700 0.33333300 0.75269247 1.0