# generated using pymatgen data_Ca5As3O14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.93668779 _cell_length_b 9.93668779 _cell_length_c 7.01430500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999863 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5As3O14 _chemical_formula_sum 'Ca10 As6 O28' _cell_volume 599.78910593 _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 0.66666700 0.33333300 0.99838500 1.0 Ca Ca1 1 0.33333300 0.66666700 0.00161500 1.0 Ca Ca2 1 0.33333300 0.66666700 0.49838500 1.0 Ca Ca3 1 0.66666700 0.33333300 0.50161500 1.0 Ca Ca4 1 0.75082300 0.99299200 0.75000000 1.0 Ca Ca5 1 0.24917700 0.00700800 0.25000000 1.0 Ca Ca6 1 0.24216800 0.24917700 0.75000000 1.0 Ca Ca7 1 0.75783200 0.75082300 0.25000000 1.0 Ca Ca8 1 0.00700800 0.75783200 0.75000000 1.0 Ca Ca9 1 0.99299200 0.24216800 0.25000000 1.0 As As10 1 0.60073800 0.62779200 0.75000000 1.0 As As11 1 0.39926200 0.37220800 0.25000000 1.0 As As12 1 0.02705400 0.39926200 0.75000000 1.0 As As13 1 0.97294600 0.60073800 0.25000000 1.0 As As14 1 0.37220800 0.97294600 0.75000000 1.0 As As15 1 0.62779200 0.02705400 0.25000000 1.0 O O16 1 0.65813600 0.75013900 0.94393100 1.0 O O17 1 0.34186400 0.24986100 0.05606900 1.0 O O18 1 0.09200300 0.34186400 0.94393100 1.0 O O19 1 0.34186400 0.24986100 0.44393100 1.0 O O20 1 0.90799700 0.65813600 0.05606900 1.0 O O21 1 0.65813600 0.75013900 0.55606900 1.0 O O22 1 0.24986100 0.90799700 0.94393100 1.0 O O23 1 0.90799700 0.65813600 0.44393100 1.0 O O24 1 0.75013900 0.09200300 0.05606900 1.0 O O25 1 0.09200300 0.34186400 0.55606900 1.0 O O26 1 0.75013900 0.09200300 0.44393100 1.0 O O27 1 0.24986100 0.90799700 0.55606900 1.0 O O28 1 0.39949900 0.52883700 0.75000000 1.0 O O29 1 0.60050100 0.47116300 0.25000000 1.0 O O30 1 0.12933800 0.60050100 0.75000000 1.0 O O31 1 0.87066200 0.39949900 0.25000000 1.0 O O32 1 0.47116300 0.87066200 0.75000000 1.0 O O33 1 0.52883700 0.12933800 0.25000000 1.0 O O34 1 0.00000000 0.00000000 0.90485800 1.0 O O35 1 0.00000000 0.00000000 0.09514200 1.0 O O36 1 0.00000000 0.00000000 0.40485800 1.0 O O37 1 0.00000000 0.00000000 0.59514200 1.0 O O38 1 0.82939500 0.32313300 0.75000000 1.0 O O39 1 0.17060500 0.67686700 0.25000000 1.0 O O40 1 0.49373800 0.17060500 0.75000000 1.0 O O41 1 0.50626200 0.82939500 0.25000000 1.0 O O42 1 0.67686700 0.50626200 0.75000000 1.0 O O43 1 0.32313300 0.49373800 0.25000000 1.0