# generated using pymatgen data_ZrZn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84741273 _cell_length_b 5.84741344 _cell_length_c 4.33069904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000754 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZn3 _chemical_formula_sum 'Zr2 Zn6' _cell_volume 128.23782788 _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 0.33333400 0.66666700 0.74999800 1.0 Zr Zr1 1 0.66666600 0.33333200 0.24999800 1.0 Zn Zn2 1 0.15662697 0.31325294 0.24999800 1.0 Zn Zn3 1 0.68674506 0.84337303 0.24999800 1.0 Zn Zn4 1 0.15662797 0.84337303 0.24999800 1.0 Zn Zn5 1 0.84337303 0.68674506 0.74999800 1.0 Zn Zn6 1 0.31325594 0.15662797 0.74999800 1.0 Zn Zn7 1 0.84337303 0.15662797 0.74999800 1.0