# generated using pymatgen data_CaV5O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09628858 _cell_length_b 5.34999170 _cell_length_c 18.18011906 _cell_angle_alpha 90.14131797 _cell_angle_beta 89.96250188 _cell_angle_gamma 106.92805809 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV5O7 _chemical_formula_sum 'Ca2 V10 O14' _cell_volume 288.10619700 _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 Ca Ca0 1 0.78669800 0.57396600 0.74993800 1.0 Ca Ca1 1 0.21230100 0.42376400 0.25053300 1.0 V V2 1 0.00299400 0.00191500 0.00133600 1.0 V V3 1 0.72096100 0.45152100 0.07610400 1.0 V V4 1 0.27268100 0.54726400 0.92412600 1.0 V V5 1 0.53591500 0.07070500 0.65243700 1.0 V V6 1 0.46435900 0.92971800 0.34765000 1.0 V V7 1 0.00035700 0.00059700 0.49996900 1.0 V V8 1 0.27257400 0.54438900 0.57550800 1.0 V V9 1 0.72766000 0.45604400 0.42409600 1.0 V V10 1 0.46234100 0.92087000 0.14741900 1.0 V V11 1 0.53976500 0.07849500 0.85171200 1.0 O O12 1 0.45511600 0.90856900 0.74714400 1.0 O O13 1 0.54561100 0.09203300 0.25372900 1.0 O O14 1 0.63923400 0.27636000 0.96819300 1.0 O O15 1 0.35222100 0.71496300 0.03687400 1.0 O O16 1 0.36542500 0.73153100 0.46297500 1.0 O O17 1 0.63486800 0.26895700 0.53703900 1.0 O O18 1 0.16937000 0.33564300 0.82672100 1.0 O O19 1 0.82137900 0.64284300 0.16828600 1.0 O O20 1 0.83665400 0.67341800 0.32771600 1.0 O O21 1 0.16334400 0.32638500 0.67132800 1.0 O O22 1 0.91224200 0.82480200 0.89228400 1.0 O O23 1 0.10577800 0.20499600 0.10667400 1.0 O O24 1 0.08674600 0.17630300 0.39227900 1.0 O O25 1 0.91341000 0.82394500 0.60793300 1.0