# generated using pymatgen data_Ti3V2Si3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29857226 _cell_length_b 7.29857147 _cell_length_c 4.97404349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999909 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3V2Si3N _chemical_formula_sum 'Ti6 V4 Si6 N2' _cell_volume 229.46475622 _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 Ti Ti0 1 0.23173642 1.00000000 0.75000000 1.0 Ti Ti1 1 0.76826358 0.00000000 0.25000000 1.0 Ti Ti2 1 0.00000000 0.23173642 0.75000000 1.0 Ti Ti3 1 1.00000000 0.76826358 0.25000000 1.0 Ti Ti4 1 0.76826358 0.76826358 0.75000000 1.0 Ti Ti5 1 0.23173642 0.23173642 0.25000000 1.0 V V6 1 0.33333300 0.66666700 0.50000000 1.0 V V7 1 0.66666700 0.33333300 0.50000000 1.0 V V8 1 0.66666700 0.33333300 0.00000000 1.0 V V9 1 0.33333300 0.66666700 0.00000000 1.0 Si Si10 1 0.58702084 0.00000000 0.75000000 1.0 Si Si11 1 0.41297916 1.00000000 0.25000000 1.0 Si Si12 1 1.00000000 0.58702084 0.75000000 1.0 Si Si13 1 0.00000000 0.41297916 0.25000000 1.0 Si Si14 1 0.41297916 0.41297916 0.75000000 1.0 Si Si15 1 0.58702084 0.58702084 0.25000000 1.0 N N16 1 0.00000000 0.00000000 0.50000000 1.0 N N17 1 0.00000000 0.00000000 0.00000000 1.0