# generated using pymatgen data_TaNi21GeB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35503459 _cell_length_b 7.35503451 _cell_length_c 7.35503407 _cell_angle_alpha 59.99999759 _cell_angle_beta 59.99999796 _cell_angle_gamma 59.99999827 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNi21GeB6 _chemical_formula_sum 'Ta1 Ni21 Ge1 B6' _cell_volume 281.34493767 _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 0.25000000 0.25000000 0.25000000 1.0 Ni Ni1 1 0.33610538 0.00310259 0.00310259 1.0 Ni Ni2 1 0.65768945 0.00310259 0.00310259 1.0 Ni Ni3 1 0.00310259 0.33610538 0.65768945 1.0 Ni Ni4 1 0.00310259 0.65768945 0.33610538 1.0 Ni Ni5 1 0.00310259 0.33610538 0.00310259 1.0 Ni Ni6 1 0.65768945 0.00310259 0.33610538 1.0 Ni Ni7 1 0.00310259 0.65768945 0.00310259 1.0 Ni Ni8 1 0.33610538 0.00310259 0.65768945 1.0 Ni Ni9 1 0.00310259 0.00310259 0.33610538 1.0 Ni Ni10 1 0.00310259 0.00310259 0.65768945 1.0 Ni Ni11 1 0.65768945 0.33610538 0.00310259 1.0 Ni Ni12 1 0.33610538 0.65768945 0.00310259 1.0 Ni Ni13 1 0.38676627 0.38676627 0.38676627 1.0 Ni Ni14 1 0.62160282 0.62160282 0.62160282 1.0 Ni Ni15 1 0.38676627 0.38676627 0.83970019 1.0 Ni Ni16 1 0.38676627 0.83970019 0.38676627 1.0 Ni Ni17 1 0.62160282 0.62160282 0.13519153 1.0 Ni Ni18 1 0.62160282 0.13519153 0.62160282 1.0 Ni Ni19 1 0.83970019 0.38676627 0.38676627 1.0 Ni Ni20 1 0.13519153 0.62160282 0.62160282 1.0 Ni Ni21 1 0.00000000 0.00000000 0.00000000 1.0 Ge Ge22 1 0.75000000 0.75000000 0.75000000 1.0 B B23 1 0.72953403 0.27046597 0.27046597 1.0 B B24 1 0.27046597 0.72953403 0.72953403 1.0 B B25 1 0.27046597 0.72953403 0.27046597 1.0 B B26 1 0.72953403 0.27046597 0.72953403 1.0 B B27 1 0.27046597 0.27046597 0.72953403 1.0 B B28 1 0.72953403 0.72953403 0.27046597 1.0