# generated using pymatgen data_Pr5Mo3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.20886900 _cell_length_b 11.20886900 _cell_length_c 11.20886900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5Mo3O16 _chemical_formula_sum 'Pr20 Mo12 O64' _cell_volume 1408.26822573 _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 Pr Pr0 1 0.00000000 0.75949500 0.00000000 1.0 Pr Pr1 1 0.00000000 0.24050500 0.00000000 1.0 Pr Pr2 1 0.50000000 0.25949500 0.50000000 1.0 Pr Pr3 1 0.50000000 0.74050500 0.50000000 1.0 Pr Pr4 1 0.00000000 0.00000000 0.75949500 1.0 Pr Pr5 1 0.00000000 0.00000000 0.24050500 1.0 Pr Pr6 1 0.50000000 0.50000000 0.25949500 1.0 Pr Pr7 1 0.50000000 0.50000000 0.74050500 1.0 Pr Pr8 1 0.75949500 0.00000000 0.00000000 1.0 Pr Pr9 1 0.24050500 0.00000000 0.00000000 1.0 Pr Pr10 1 0.25949500 0.50000000 0.50000000 1.0 Pr Pr11 1 0.74050500 0.50000000 0.50000000 1.0 Pr Pr12 1 0.25000000 0.75000000 0.75000000 1.0 Pr Pr13 1 0.75000000 0.75000000 0.25000000 1.0 Pr Pr14 1 0.75000000 0.25000000 0.75000000 1.0 Pr Pr15 1 0.25000000 0.25000000 0.25000000 1.0 Pr Pr16 1 0.75000000 0.25000000 0.25000000 1.0 Pr Pr17 1 0.25000000 0.25000000 0.75000000 1.0 Pr Pr18 1 0.25000000 0.75000000 0.25000000 1.0 Pr Pr19 1 0.75000000 0.75000000 0.75000000 1.0 Mo Mo20 1 0.50000000 0.75000000 0.00000000 1.0 Mo Mo21 1 0.50000000 0.25000000 0.00000000 1.0 Mo Mo22 1 0.00000000 0.50000000 0.75000000 1.0 Mo Mo23 1 0.00000000 0.50000000 0.25000000 1.0 Mo Mo24 1 0.75000000 0.00000000 0.50000000 1.0 Mo Mo25 1 0.25000000 0.00000000 0.50000000 1.0 Mo Mo26 1 0.00000000 0.75000000 0.50000000 1.0 Mo Mo27 1 0.00000000 0.25000000 0.50000000 1.0 Mo Mo28 1 0.50000000 0.00000000 0.75000000 1.0 Mo Mo29 1 0.50000000 0.00000000 0.25000000 1.0 Mo Mo30 1 0.75000000 0.50000000 0.00000000 1.0 Mo Mo31 1 0.25000000 0.50000000 0.00000000 1.0 O O32 1 0.88461100 0.33356900 0.58019100 1.0 O O33 1 0.11538900 0.33356900 0.41980900 1.0 O O34 1 0.11538900 0.66643100 0.58019100 1.0 O O35 1 0.88461100 0.66643100 0.41980900 1.0 O O36 1 0.91980900 0.83356900 0.61538900 1.0 O O37 1 0.08019100 0.83356900 0.38461100 1.0 O O38 1 0.08019100 0.16643100 0.61538900 1.0 O O39 1 0.91980900 0.16643100 0.38461100 1.0 O O40 1 0.58019100 0.88461100 0.33356900 1.0 O O41 1 0.41980900 0.11538900 0.33356900 1.0 O O42 1 0.58019100 0.11538900 0.66643100 1.0 O O43 1 0.41980900 0.88461100 0.66643100 1.0 O O44 1 0.61538900 0.91980900 0.83356900 1.0 O O45 1 0.38461100 0.08019100 0.83356900 1.0 O O46 1 0.61538900 0.08019100 0.16643100 1.0 O O47 1 0.38461100 0.91980900 0.16643100 1.0 O O48 1 0.33356900 0.58019100 0.88461100 1.0 O O49 1 0.33356900 0.41980900 0.11538900 1.0 O O50 1 0.66643100 0.58019100 0.11538900 1.0 O O51 1 0.66643100 0.41980900 0.88461100 1.0 O O52 1 0.83356900 0.61538900 0.91980900 1.0 O O53 1 0.83356900 0.38461100 0.08019100 1.0 O O54 1 0.16643100 0.61538900 0.08019100 1.0 O O55 1 0.16643100 0.38461100 0.91980900 1.0 O O56 1 0.61538900 0.16643100 0.91980900 1.0 O O57 1 0.38461100 0.16643100 0.08019100 1.0 O O58 1 0.38461100 0.83356900 0.91980900 1.0 O O59 1 0.61538900 0.83356900 0.08019100 1.0 O O60 1 0.58019100 0.66643100 0.88461100 1.0 O O61 1 0.41980900 0.66643100 0.11538900 1.0 O O62 1 0.41980900 0.33356900 0.88461100 1.0 O O63 1 0.58019100 0.33356900 0.11538900 1.0 O O64 1 0.91980900 0.61538900 0.16643100 1.0 O O65 1 0.08019100 0.38461100 0.16643100 1.0 O O66 1 0.91980900 0.38461100 0.83356900 1.0 O O67 1 0.08019100 0.61538900 0.83356900 1.0 O O68 1 0.88461100 0.58019100 0.66643100 1.0 O O69 1 0.11538900 0.41980900 0.66643100 1.0 O O70 1 0.88461100 0.41980900 0.33356900 1.0 O O71 1 0.11538900 0.58019100 0.33356900 1.0 O O72 1 0.16643100 0.91980900 0.61538900 1.0 O O73 1 0.16643100 0.08019100 0.38461100 1.0 O O74 1 0.83356900 0.91980900 0.38461100 1.0 O O75 1 0.83356900 0.08019100 0.61538900 1.0 O O76 1 0.66643100 0.88461100 0.58019100 1.0 O O77 1 0.66643100 0.11538900 0.41980900 1.0 O O78 1 0.33356900 0.88461100 0.41980900 1.0 O O79 1 0.33356900 0.11538900 0.58019100 1.0 O O80 1 0.12895900 0.87104100 0.87104100 1.0 O O81 1 0.87104100 0.87104100 0.12895900 1.0 O O82 1 0.87104100 0.12895900 0.87104100 1.0 O O83 1 0.12895900 0.12895900 0.12895900 1.0 O O84 1 0.62895900 0.37104100 0.37104100 1.0 O O85 1 0.37104100 0.37104100 0.62895900 1.0 O O86 1 0.37104100 0.62895900 0.37104100 1.0 O O87 1 0.62895900 0.62895900 0.62895900 1.0 O O88 1 0.37104100 0.62895900 0.62895900 1.0 O O89 1 0.62895900 0.62895900 0.37104100 1.0 O O90 1 0.62895900 0.37104100 0.62895900 1.0 O O91 1 0.37104100 0.37104100 0.37104100 1.0 O O92 1 0.87104100 0.12895900 0.12895900 1.0 O O93 1 0.12895900 0.12895900 0.87104100 1.0 O O94 1 0.12895900 0.87104100 0.12895900 1.0 O O95 1 0.87104100 0.87104100 0.87104100 1.0