# generated using pymatgen data_Zr9Ta3CuRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94258898 _cell_length_b 8.94258989 _cell_length_c 8.51309935 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Ta3CuRe _chemical_formula_sum 'Zr18 Ta6 Cu2 Re2' _cell_volume 589.58299425 _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 0.19760972 0.80239028 0.44345506 1.0 Zr Zr1 1 0.19760972 0.39521944 0.44345506 1.0 Zr Zr2 1 0.60478056 0.80239028 0.44345506 1.0 Zr Zr3 1 0.80239028 0.19760972 0.55654494 1.0 Zr Zr4 1 0.80239028 0.60478056 0.55654494 1.0 Zr Zr5 1 0.39521944 0.19760972 0.55654494 1.0 Zr Zr6 1 0.80239028 0.19760972 0.94345506 1.0 Zr Zr7 1 0.80239028 0.60478056 0.94345506 1.0 Zr Zr8 1 0.39521944 0.19760972 0.94345506 1.0 Zr Zr9 1 0.19760972 0.80239028 0.05654494 1.0 Zr Zr10 1 0.19760972 0.39521944 0.05654494 1.0 Zr Zr11 1 0.60478056 0.80239028 0.05654494 1.0 Zr Zr12 1 0.54167761 0.45832239 0.25000000 1.0 Zr Zr13 1 0.54167761 0.08335621 0.25000000 1.0 Zr Zr14 1 0.91664379 0.45832239 0.25000000 1.0 Zr Zr15 1 0.45832239 0.54167761 0.75000000 1.0 Zr Zr16 1 0.45832239 0.91664379 0.75000000 1.0 Zr Zr17 1 0.08335621 0.54167761 0.75000000 1.0 Ta Ta18 1 0.89014868 0.10985132 0.25000000 1.0 Ta Ta19 1 0.89014868 0.78029635 0.25000000 1.0 Ta Ta20 1 0.21970365 0.10985132 0.25000000 1.0 Ta Ta21 1 0.10985132 0.89014868 0.75000000 1.0 Ta Ta22 1 0.10985132 0.21970365 0.75000000 1.0 Ta Ta23 1 0.78029635 0.89014868 0.75000000 1.0 Cu Cu24 1 0.33333300 0.66666700 0.25000000 1.0 Cu Cu25 1 0.66666700 0.33333300 0.75000000 1.0 Re Re26 1 0.00000000 0.00000000 0.50000000 1.0 Re Re27 1 0.00000000 0.00000000 0.00000000 1.0