# generated using pymatgen data_PaVC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31578528 _cell_length_b 5.63302683 _cell_length_c 10.77351596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaVC2 _chemical_formula_sum 'Pa4 V4 C8' _cell_volume 201.22673362 _cell_formula_units_Z 4 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 Pa Pa0 1 0.25000000 0.08232940 0.85815238 1.0 Pa Pa1 1 0.75000000 0.91767060 0.14184762 1.0 Pa Pa2 1 0.25000000 0.58232940 0.64184762 1.0 Pa Pa3 1 0.75000000 0.41767060 0.35815238 1.0 V V4 1 0.75000000 0.08109318 0.60126995 1.0 V V5 1 0.75000000 0.58109318 0.89873005 1.0 V V6 1 0.25000000 0.91890682 0.39873005 1.0 V V7 1 0.25000000 0.41890682 0.10126995 1.0 C C8 1 0.25000000 0.72383443 0.98668505 1.0 C C9 1 0.75000000 0.27616557 0.01331495 1.0 C C10 1 0.25000000 0.22383443 0.51331495 1.0 C C11 1 0.75000000 0.77616557 0.48668505 1.0 C C12 1 0.25000000 0.16502059 0.24724068 1.0 C C13 1 0.75000000 0.33497941 0.74724068 1.0 C C14 1 0.25000000 0.66502059 0.25275932 1.0 C C15 1 0.75000000 0.83497941 0.75275932 1.0