# generated using pymatgen data_Ti2V2SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31225502 _cell_length_b 6.45721278 _cell_length_c 7.78654885 _cell_angle_alpha 89.49392203 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2V2SiP _chemical_formula_sum 'Ti4 V4 Si2 P2' _cell_volume 166.53170774 _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 0.25000000 0.55134572 0.16939039 1.0 Ti Ti1 1 0.75000000 0.44865428 0.83060961 1.0 Ti Ti2 1 0.75000000 0.95754079 0.66440226 1.0 Ti Ti3 1 0.25000000 0.04245921 0.33559774 1.0 V V4 1 0.25000000 0.62959781 0.55735849 1.0 V V5 1 0.75000000 0.37040219 0.44264151 1.0 V V6 1 0.75000000 0.87122761 0.06315204 1.0 V V7 1 0.25000000 0.12877239 0.93684796 1.0 Si Si8 1 0.25000000 0.75034310 0.85977337 1.0 Si Si9 1 0.75000000 0.24965690 0.14022663 1.0 P P10 1 0.75000000 0.74668184 0.36101852 1.0 P P11 1 0.25000000 0.25331816 0.63898148 1.0