# generated using pymatgen data_HfNb8CrSe16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00456553 _cell_length_b 7.00456469 _cell_length_c 13.02792738 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000396 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb8CrSe16 _chemical_formula_sum 'Hf1 Nb8 Cr1 Se16' _cell_volume 553.56458288 _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 0.00000000 0.50000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.24680923 1.0 Nb Nb2 1 0.00000000 0.00000000 0.75319077 1.0 Nb Nb3 1 0.50797842 0.01595585 0.24454390 1.0 Nb Nb4 1 0.98404415 0.49202158 0.24454390 1.0 Nb Nb5 1 0.50797842 0.49202158 0.24454390 1.0 Nb Nb6 1 0.49202158 0.98404415 0.75545610 1.0 Nb Nb7 1 0.01595585 0.50797842 0.75545610 1.0 Nb Nb8 1 0.49202158 0.50797842 0.75545610 1.0 Cr Cr9 1 0.00000000 0.00000000 0.00000000 1.0 Se Se10 1 0.33333300 0.66666700 0.88655445 1.0 Se Se11 1 0.66666700 0.33333300 0.11344555 1.0 Se Se12 1 0.66666700 0.33333300 0.37666732 1.0 Se Se13 1 0.33333300 0.66666700 0.62333268 1.0 Se Se14 1 0.16949561 0.83050439 0.37311274 1.0 Se Se15 1 0.16949561 0.33899122 0.37311274 1.0 Se Se16 1 0.66100878 0.83050439 0.37311274 1.0 Se Se17 1 0.83050439 0.16949561 0.62688726 1.0 Se Se18 1 0.83050439 0.66100878 0.62688726 1.0 Se Se19 1 0.33899122 0.16949561 0.62688726 1.0 Se Se20 1 0.83255467 0.16744533 0.88162179 1.0 Se Se21 1 0.83255467 0.66511135 0.88162179 1.0 Se Se22 1 0.33488865 0.16744533 0.88162179 1.0 Se Se23 1 0.16744533 0.83255467 0.11837821 1.0 Se Se24 1 0.16744533 0.33488865 0.11837821 1.0 Se Se25 1 0.66511135 0.83255467 0.11837821 1.0