# generated using pymatgen data_Zr9Ta4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86599141 _cell_length_b 8.86599253 _cell_length_c 8.97383735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000697 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Ta4Se _chemical_formula_sum 'Zr18 Ta8 Se2' _cell_volume 610.89062755 _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 Zr Zr0 1 0.54177903 0.08355906 0.25000000 1.0 Zr Zr1 1 0.45822097 0.91644094 0.75000000 1.0 Zr Zr2 1 0.91644094 0.45822097 0.25000000 1.0 Zr Zr3 1 0.08355906 0.54177903 0.75000000 1.0 Zr Zr4 1 0.54177903 0.45822097 0.25000000 1.0 Zr Zr5 1 0.45822097 0.54177903 0.75000000 1.0 Zr Zr6 1 0.19628819 0.39257838 0.04818581 1.0 Zr Zr7 1 0.80371181 0.60742162 0.95181419 1.0 Zr Zr8 1 0.60742162 0.80371181 0.04818581 1.0 Zr Zr9 1 0.80371181 0.60742162 0.54818581 1.0 Zr Zr10 1 0.39257838 0.19628819 0.95181419 1.0 Zr Zr11 1 0.19628819 0.39257838 0.45181419 1.0 Zr Zr12 1 0.19628819 0.80371181 0.04818581 1.0 Zr Zr13 1 0.39257838 0.19628819 0.54818581 1.0 Zr Zr14 1 0.80371181 0.19628819 0.95181419 1.0 Zr Zr15 1 0.60742162 0.80371181 0.45181419 1.0 Zr Zr16 1 0.80371181 0.19628819 0.54818581 1.0 Zr Zr17 1 0.19628819 0.80371181 0.45181419 1.0 Ta Ta18 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta19 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta20 1 0.88884437 0.77768873 0.25000000 1.0 Ta Ta21 1 0.11115563 0.22231127 0.75000000 1.0 Ta Ta22 1 0.22231127 0.11115563 0.25000000 1.0 Ta Ta23 1 0.77768873 0.88884437 0.75000000 1.0 Ta Ta24 1 0.88884437 0.11115563 0.25000000 1.0 Ta Ta25 1 0.11115563 0.88884437 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