# generated using pymatgen data_Zr18Nb5Cu2Re3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87558218 _cell_length_b 8.90872655 _cell_length_c 8.55687156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.12360400 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr18Nb5Cu2Re3 _chemical_formula_sum 'Zr18 Nb5 Cu2 Re3' _cell_volume 585.21554462 _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 Zr Zr0 1 0.19835009 0.80141738 0.44456936 1.0 Zr Zr1 1 0.19835009 0.39693270 0.44456936 1.0 Zr Zr2 1 0.60652760 0.80326430 0.44858212 1.0 Zr Zr3 1 0.80187202 0.19619568 0.55751903 1.0 Zr Zr4 1 0.80187202 0.60567634 0.55751903 1.0 Zr Zr5 1 0.39573505 0.19786802 0.55572073 1.0 Zr Zr6 1 0.80187202 0.19619568 0.94248097 1.0 Zr Zr7 1 0.80187202 0.60567634 0.94248097 1.0 Zr Zr8 1 0.39573505 0.19786802 0.94427927 1.0 Zr Zr9 1 0.19835009 0.80141738 0.05543064 1.0 Zr Zr10 1 0.19835009 0.39693270 0.05543064 1.0 Zr Zr11 1 0.60652760 0.80326430 0.05141788 1.0 Zr Zr12 1 0.54113850 0.45893740 0.25000000 1.0 Zr Zr13 1 0.54113850 0.08220110 0.25000000 1.0 Zr Zr14 1 0.91605743 0.45802972 0.25000000 1.0 Zr Zr15 1 0.46199468 0.54532434 0.75000000 1.0 Zr Zr16 1 0.46199468 0.91666934 0.75000000 1.0 Zr Zr17 1 0.08272485 0.54136242 0.75000000 1.0 Nb Nb18 1 0.88875964 0.10989877 0.25000000 1.0 Nb Nb19 1 0.88875964 0.77886086 0.25000000 1.0 Nb Nb20 1 0.22176702 0.11088351 0.25000000 1.0 Nb Nb21 1 0.10624800 0.88654490 0.75000000 1.0 Nb Nb22 1 0.10624800 0.21970310 0.75000000 1.0 Cu Cu23 1 0.33620967 0.66810534 0.25000000 1.0 Cu Cu24 1 0.66754621 0.33377261 0.75000000 1.0 Re Re25 1 0.77850650 0.88925275 0.75000000 1.0 Re Re26 1 0.99774598 0.99887249 0.50136271 1.0 Re Re27 1 0.99774598 0.99887249 0.99863729 1.0