# generated using pymatgen data_V7NiS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56265469 _cell_length_b 5.56265540 _cell_length_c 11.87074860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999579 _symmetry_Int_Tables_number 1 _chemical_formula_structural V7NiS12 _chemical_formula_sum 'V7 Ni1 S12' _cell_volume 318.10684635 _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 V V0 1 0.33333300 0.66666700 0.99974921 1.0 V V1 1 0.66666700 0.33333300 0.49550614 1.0 V V2 1 0.33333300 0.66666700 0.50025079 1.0 V V3 1 0.00000000 0.00000000 0.00281472 1.0 V V4 1 0.66666700 0.33333300 0.00449386 1.0 V V5 1 0.00000000 0.00000000 0.49718528 1.0 V V6 1 0.66666700 0.33333300 0.75000000 1.0 Ni Ni7 1 0.33333300 0.66666700 0.25000000 1.0 S S8 1 0.00127821 0.66832222 0.12563932 1.0 S S9 1 0.66897073 0.66703642 0.62030323 1.0 S S10 1 0.00127821 0.33295599 0.37436068 1.0 S S11 1 0.33167778 0.33295599 0.12563932 1.0 S S12 1 0.33296358 0.00193430 0.62030323 1.0 S S13 1 0.33296358 0.33102927 0.87969677 1.0 S S14 1 0.66704401 0.66832222 0.37436068 1.0 S S15 1 0.99806570 0.66703642 0.87969677 1.0 S S16 1 0.66897073 0.00193430 0.87969677 1.0 S S17 1 0.33167778 0.99872179 0.37436068 1.0 S S18 1 0.66704401 0.99872179 0.12563932 1.0 S S19 1 0.99806570 0.33102927 0.62030323 1.0