# generated using pymatgen data_Ti3V2Co(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57274130 _cell_length_b 8.57274130 _cell_length_c 8.57274220 _cell_angle_alpha 60.88512622 _cell_angle_beta 60.88512622 _cell_angle_gamma 60.88512333 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3V2Co(PO4)6 _chemical_formula_sum 'Ti3 V2 Co1 P6 O24' _cell_volume 454.38529546 _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 0.64532000 0.64532000 0.64532000 1.0 Ti Ti1 1 0.85743500 0.85743500 0.85743500 1.0 Ti Ti2 1 0.35461200 0.35461200 0.35461200 1.0 V V3 1 0.00111600 0.00111600 0.00111600 1.0 V V4 1 0.50118700 0.50118700 0.50118700 1.0 Co Co5 1 0.14280100 0.14280100 0.14280100 1.0 P P6 1 0.95548100 0.24851100 0.54135000 1.0 P P7 1 0.54135000 0.95548100 0.24851100 1.0 P P8 1 0.24851100 0.54135000 0.95548100 1.0 P P9 1 0.74908300 0.45794600 0.04406300 1.0 P P10 1 0.45794600 0.04406300 0.74908300 1.0 P P11 1 0.04406300 0.74908300 0.45794600 1.0 O O12 1 0.49496000 0.11874400 0.31457900 1.0 O O13 1 0.31457900 0.49496000 0.11874400 1.0 O O14 1 0.11874400 0.31457900 0.49496000 1.0 O O15 1 0.94187400 0.09010900 0.74021400 1.0 O O16 1 0.98738500 0.18411900 0.39108500 1.0 O O17 1 0.76054600 0.41182900 0.56722900 1.0 O O18 1 0.74021400 0.94187400 0.09010900 1.0 O O19 1 0.56722900 0.76054600 0.41182900 1.0 O O20 1 0.81509300 0.61951100 0.99813800 1.0 O O21 1 0.41182900 0.56722900 0.76054600 1.0 O O22 1 0.90365300 0.26524500 0.05265600 1.0 O O23 1 0.61951100 0.99813800 0.81509300 1.0 O O24 1 0.39108500 0.98738500 0.18411900 1.0 O O25 1 0.09010900 0.74021400 0.94187400 1.0 O O26 1 0.58660100 0.44546000 0.23866000 1.0 O O27 1 0.18411900 0.39108500 0.98738500 1.0 O O28 1 0.44546000 0.23866000 0.58660100 1.0 O O29 1 0.26524500 0.05265600 0.90365300 1.0 O O30 1 0.23866000 0.58660100 0.44546000 1.0 O O31 1 0.99813800 0.81509300 0.61951100 1.0 O O32 1 0.05265600 0.90365300 0.26524500 1.0 O O33 1 0.88648500 0.67300900 0.51391400 1.0 O O34 1 0.67300900 0.51391400 0.88648500 1.0 O O35 1 0.51391400 0.88648500 0.67300900 1.0