# generated using pymatgen data_Ti3VP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36692454 _cell_length_b 6.39794215 _cell_length_c 7.83936951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3VP2 _chemical_formula_sum 'Ti6 V2 P4' _cell_volume 168.87090356 _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 0.04451687 0.83398678 1.0 Ti Ti1 1 0.25000000 0.54451687 0.66601322 1.0 Ti Ti2 1 0.75000000 0.96189510 0.16933330 1.0 Ti Ti3 1 0.75000000 0.46189510 0.33066670 1.0 Ti Ti4 1 0.25000000 0.13475721 0.43986470 1.0 Ti Ti5 1 0.25000000 0.63475721 0.06013530 1.0 V V6 1 0.75000000 0.86123069 0.56131091 1.0 V V7 1 0.75000000 0.36123069 0.93868909 1.0 P P8 1 0.25000000 0.75363754 0.36439208 1.0 P P9 1 0.25000000 0.25363754 0.13560792 1.0 P P10 1 0.75000000 0.24396159 0.64465716 1.0 P P11 1 0.75000000 0.74396159 0.85534284 1.0