# generated using pymatgen data_Nb8Si6BMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54524212 _cell_length_b 7.54524199 _cell_length_c 5.24771910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000057 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8Si6BMo2 _chemical_formula_sum 'Nb8 Si6 B1 Mo2' _cell_volume 258.73046098 _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 Nb Nb0 1 1.00000000 0.75380267 0.25327933 1.0 Nb Nb1 1 0.24619733 0.24619733 0.25327933 1.0 Nb Nb2 1 0.75380267 0.00000000 0.25327933 1.0 Nb Nb3 1 0.00000000 0.24619733 0.74672067 1.0 Nb Nb4 1 0.75380267 0.75380267 0.74672067 1.0 Nb Nb5 1 0.24619733 0.00000000 0.74672067 1.0 Nb Nb6 1 0.33333300 0.66666700 0.50000000 1.0 Nb Nb7 1 0.66666700 0.33333300 0.50000000 1.0 Si Si8 1 0.00000000 0.39924537 0.22937595 1.0 Si Si9 1 0.60075463 0.60075463 0.22937595 1.0 Si Si10 1 0.39924537 0.00000000 0.22937595 1.0 Si Si11 1 1.00000000 0.60075463 0.77062405 1.0 Si Si12 1 0.39924537 0.39924537 0.77062405 1.0 Si Si13 1 0.60075463 0.00000000 0.77062405 1.0 B B14 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo15 1 0.66666700 0.33333300 0.00000000 1.0 Mo Mo16 1 0.33333300 0.66666700 0.00000000 1.0