# generated using pymatgen data_Zr9NbCoRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73444648 _cell_length_b 8.73446163 _cell_length_c 8.48996637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999795 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9NbCoRe3 _chemical_formula_sum 'Zr18 Nb2 Co2 Re6' _cell_volume 560.92931806 _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 0.20115974 0.79884026 0.43998056 1.0 Zr Zr1 1 0.20115974 0.40232147 0.43998056 1.0 Zr Zr2 1 0.59767853 0.79884026 0.43998056 1.0 Zr Zr3 1 0.79884026 0.20115974 0.56001944 1.0 Zr Zr4 1 0.79884026 0.59767853 0.56001944 1.0 Zr Zr5 1 0.40232147 0.20115974 0.56001944 1.0 Zr Zr6 1 0.79884026 0.20115974 0.93998056 1.0 Zr Zr7 1 0.79884026 0.59767853 0.93998056 1.0 Zr Zr8 1 0.40232147 0.20115974 0.93998056 1.0 Zr Zr9 1 0.20115974 0.79884026 0.06001944 1.0 Zr Zr10 1 0.20115974 0.40232147 0.06001944 1.0 Zr Zr11 1 0.59767853 0.79884026 0.06001944 1.0 Zr Zr12 1 0.54252696 0.45747304 0.25000000 1.0 Zr Zr13 1 0.54252696 0.08505492 0.25000000 1.0 Zr Zr14 1 0.91494608 0.45747304 0.25000000 1.0 Zr Zr15 1 0.45747304 0.54252696 0.75000000 1.0 Zr Zr16 1 0.45747304 0.91494508 0.75000000 1.0 Zr Zr17 1 0.08505392 0.54252696 0.75000000 1.0 Nb Nb18 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb19 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 0.88754087 0.11245813 0.25000000 1.0 Re Re23 1 0.88754087 0.77508274 0.25000000 1.0 Re Re24 1 0.22491826 0.11245913 0.25000000 1.0 Re Re25 1 0.11245913 0.88754187 0.75000000 1.0 Re Re26 1 0.11245913 0.22491726 0.75000000 1.0 Re Re27 1 0.77508174 0.88754087 0.75000000 1.0