# generated using pymatgen data_Si3NiMo12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92456200 _cell_length_b 4.92344000 _cell_length_c 9.85498000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3NiMo12 _chemical_formula_sum 'Si3 Ni1 Mo12' _cell_volume 238.94173151 _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 Si Si0 1 0.50000000 0.50000000 0.75000000 1.0 Si Si1 1 0.00000000 0.00000000 0.00001300 1.0 Si Si2 1 0.00000000 0.00000000 0.49998700 1.0 Ni Ni3 1 0.50000000 0.50000000 0.25000000 1.0 Mo Mo4 1 0.00000000 0.50000000 0.37537800 1.0 Mo Mo5 1 0.00000000 0.50000000 0.87444100 1.0 Mo Mo6 1 0.50000000 0.24972000 0.00051400 1.0 Mo Mo7 1 0.50000000 0.24972000 0.49948600 1.0 Mo Mo8 1 0.75016300 0.00000000 0.25000000 1.0 Mo Mo9 1 0.74925100 0.00000000 0.75000000 1.0 Mo Mo10 1 0.00000000 0.50000000 0.12462200 1.0 Mo Mo11 1 0.00000000 0.50000000 0.62555900 1.0 Mo Mo12 1 0.50000000 0.75028000 0.00051400 1.0 Mo Mo13 1 0.50000000 0.75028000 0.49948600 1.0 Mo Mo14 1 0.24983700 0.00000000 0.25000000 1.0 Mo Mo15 1 0.25074900 0.00000000 0.75000000 1.0