# generated using pymatgen data_Zr9TaCoRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73579565 _cell_length_b 8.73579556 _cell_length_c 8.47916459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000409 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9TaCoRe3 _chemical_formula_sum 'Zr18 Ta2 Co2 Re6' _cell_volume 560.38771682 _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 0.20083624 0.79916376 0.44002519 1.0 Zr Zr1 1 0.20083624 0.40167147 0.44002519 1.0 Zr Zr2 1 0.59832853 0.79916376 0.44002519 1.0 Zr Zr3 1 0.79916376 0.20083624 0.55997481 1.0 Zr Zr4 1 0.79916376 0.59832853 0.55997481 1.0 Zr Zr5 1 0.40167147 0.20083624 0.55997481 1.0 Zr Zr6 1 0.79916376 0.20083624 0.94002519 1.0 Zr Zr7 1 0.79916376 0.59832853 0.94002519 1.0 Zr Zr8 1 0.40167147 0.20083624 0.94002519 1.0 Zr Zr9 1 0.20083624 0.79916376 0.05997481 1.0 Zr Zr10 1 0.20083624 0.40167147 0.05997481 1.0 Zr Zr11 1 0.59832853 0.79916376 0.05997481 1.0 Zr Zr12 1 0.54259644 0.45740356 0.25000000 1.0 Zr Zr13 1 0.54259644 0.08518989 0.25000000 1.0 Zr Zr14 1 0.91481011 0.45740356 0.25000000 1.0 Zr Zr15 1 0.45740356 0.54259644 0.75000000 1.0 Zr Zr16 1 0.45740356 0.91481011 0.75000000 1.0 Zr Zr17 1 0.08518989 0.54259644 0.75000000 1.0 Ta Ta18 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta19 1 0.00000000 0.00000000 0.00000000 1.0 Co Co20 1 0.33333300 0.66666700 0.25000000 1.0 Co Co21 1 0.66666700 0.33333300 0.75000000 1.0 Re Re22 1 0.88771369 0.11228631 0.25000000 1.0 Re Re23 1 0.88771369 0.77542839 0.25000000 1.0 Re Re24 1 0.22457161 0.11228631 0.25000000 1.0 Re Re25 1 0.11228631 0.88771369 0.75000000 1.0 Re Re26 1 0.11228631 0.22457161 0.75000000 1.0 Re Re27 1 0.77542839 0.88771369 0.75000000 1.0