# generated using pymatgen data_TaNb2(Ni10B3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43178830 _cell_length_b 7.43178896 _cell_length_c 7.43178959 _cell_angle_alpha 59.99999719 _cell_angle_beta 59.99999424 _cell_angle_gamma 59.99999911 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2(Ni10B3)2 _chemical_formula_sum 'Ta1 Nb2 Ni20 B6' _cell_volume 290.24521958 _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 Ta Ta0 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb1 1 0.25000000 0.25000000 0.25000000 1.0 Nb Nb2 1 0.75000000 0.75000000 0.75000000 1.0 Ni Ni3 1 0.34358867 0.00000000 0.00000000 1.0 Ni Ni4 1 0.65641133 0.00000000 1.00000000 1.0 Ni Ni5 1 1.00000000 0.34358867 0.65641133 1.0 Ni Ni6 1 0.00000000 0.65641133 0.34358867 1.0 Ni Ni7 1 1.00000000 0.34358867 0.00000000 1.0 Ni Ni8 1 0.65641133 0.00000000 0.34358867 1.0 Ni Ni9 1 0.00000000 0.65641133 1.00000000 1.0 Ni Ni10 1 0.34358867 0.00000000 0.65641133 1.0 Ni Ni11 1 0.00000000 0.00000000 0.34358867 1.0 Ni Ni12 1 0.00000000 0.00000000 0.65641133 1.0 Ni Ni13 1 0.65641133 0.34358867 1.00000000 1.0 Ni Ni14 1 0.34358867 0.65641133 0.00000000 1.0 Ni Ni15 1 0.38460968 0.38460968 0.38460968 1.0 Ni Ni16 1 0.61539032 0.61539032 0.61539032 1.0 Ni Ni17 1 0.38460968 0.38460968 0.84617197 1.0 Ni Ni18 1 0.38460968 0.84617197 0.38460968 1.0 Ni Ni19 1 0.61539032 0.61539032 0.15382803 1.0 Ni Ni20 1 0.61539032 0.15382803 0.61539032 1.0 Ni Ni21 1 0.84617197 0.38460968 0.38460968 1.0 Ni Ni22 1 0.15382803 0.61539032 0.61539032 1.0 B B23 1 0.73305283 0.26694717 0.26694717 1.0 B B24 1 0.26694717 0.73305283 0.73305283 1.0 B B25 1 0.26694717 0.73305283 0.26694717 1.0 B B26 1 0.73305283 0.26694717 0.73305283 1.0 B B27 1 0.26694717 0.26694717 0.73305283 1.0 B B28 1 0.73305283 0.73305283 0.26694717 1.0