# generated using pymatgen data_TiNb3(VAs)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50528180 _cell_length_b 6.54740958 _cell_length_c 7.92318454 _cell_angle_alpha 90.21992886 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNb3(VAs)4 _chemical_formula_sum 'Ti1 Nb3 V4 As4' _cell_volume 181.83983105 _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 Ti Ti0 1 0.25000000 0.04606312 0.33226560 1.0 Nb Nb1 1 0.25000000 0.54451790 0.16769027 1.0 Nb Nb2 1 0.75000000 0.45021521 0.83310507 1.0 Nb Nb3 1 0.75000000 0.95398258 0.66746046 1.0 V V4 1 0.25000000 0.63216170 0.55609438 1.0 V V5 1 0.75000000 0.37184638 0.44240569 1.0 V V6 1 0.75000000 0.86733909 0.05738153 1.0 V V7 1 0.25000000 0.13382567 0.94239050 1.0 As As8 1 0.25000000 0.75442378 0.86086851 1.0 As As9 1 0.75000000 0.23974120 0.14556447 1.0 As As10 1 0.75000000 0.75312773 0.35940352 1.0 As As11 1 0.25000000 0.25275563 0.63536901 1.0