# generated using pymatgen data_Nb4Si3MoC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49561344 _cell_length_b 7.49561307 _cell_length_c 5.36573964 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000162 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4Si3MoC _chemical_formula_sum 'Nb8 Si6 Mo2 C2' _cell_volume 261.08057567 _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 Nb Nb0 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb1 1 0.33333300 0.66666700 0.00000000 1.0 Nb Nb2 1 0.76481417 0.76481417 0.75150633 1.0 Nb Nb3 1 0.23518583 0.00000000 0.75150633 1.0 Nb Nb4 1 0.00000000 0.23518583 0.75150633 1.0 Nb Nb5 1 0.23518583 0.23518583 0.24849367 1.0 Nb Nb6 1 0.76481417 0.00000000 0.24849367 1.0 Nb Nb7 1 1.00000000 0.76481417 0.24849367 1.0 Si Si8 1 0.40757150 0.40757150 0.73500735 1.0 Si Si9 1 0.59242850 0.00000000 0.73500735 1.0 Si Si10 1 1.00000000 0.59242850 0.73500735 1.0 Si Si11 1 0.59242850 0.59242850 0.26499265 1.0 Si Si12 1 0.40757150 0.00000000 0.26499265 1.0 Si Si13 1 0.00000000 0.40757150 0.26499265 1.0 Mo Mo14 1 0.33333300 0.66666700 0.50000000 1.0 Mo Mo15 1 0.66666700 0.33333300 0.50000000 1.0 C C16 1 0.00000000 0.00000000 0.00000000 1.0 C C17 1 0.00000000 0.00000000 0.50000000 1.0