# generated using pymatgen data_TaNb(NiB2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12190951 _cell_length_b 6.00727032 _cell_length_c 8.15721565 _cell_angle_alpha 90.02477820 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb(NiB2)2 _chemical_formula_sum 'Ta2 Nb2 Ni4 B8' _cell_volume 152.98166707 _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 Ta Ta0 1 0.25000000 0.63245820 0.63256320 1.0 Ta Ta1 1 0.75000000 0.36754180 0.36743680 1.0 Nb Nb2 1 0.25000000 0.13190049 0.86707121 1.0 Nb Nb3 1 0.75000000 0.86809951 0.13292879 1.0 Ni Ni4 1 0.75000000 0.50044100 0.88418418 1.0 Ni Ni5 1 0.75000000 0.99882393 0.61458590 1.0 Ni Ni6 1 0.25000000 0.49955900 0.11581582 1.0 Ni Ni7 1 0.25000000 0.00117607 0.38541410 1.0 B B8 1 0.25000000 0.17330425 0.16953618 1.0 B B9 1 0.75000000 0.82669575 0.83046382 1.0 B B10 1 0.25000000 0.67164512 0.33283530 1.0 B B11 1 0.75000000 0.32835488 0.66716470 1.0 B B12 1 0.25000000 0.24103758 0.57521484 1.0 B B13 1 0.75000000 0.26149859 0.07702526 1.0 B B14 1 0.25000000 0.73850141 0.92297474 1.0 B B15 1 0.75000000 0.75896242 0.42478516 1.0