# generated using pymatgen data_MoPO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37527133 _cell_length_b 7.38609003 _cell_length_c 7.33959785 _cell_angle_alpha 89.98029847 _cell_angle_beta 90.01145977 _cell_angle_gamma 120.80659455 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPO5 _chemical_formula_sum 'Mo4 P4 O20' _cell_volume 343.40603640 _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 Mo Mo0 1 0.75054201 0.50035928 0.24980519 1.0 Mo Mo1 1 0.25050976 0.00036043 0.25026286 1.0 Mo Mo2 1 0.24945799 0.49964072 0.75019481 1.0 Mo Mo3 1 0.74949024 -0.00036043 0.74973714 1.0 P P4 1 0.49988357 0.25030941 0.87182810 1.0 P P5 1 -0.00010487 0.25022358 0.37179230 1.0 P P6 1 0.00010487 0.74977642 0.62820770 1.0 P P7 1 0.50011643 0.74969059 0.12817190 1.0 O O8 1 0.90404249 0.84583562 0.74954756 1.0 O O9 1 0.09595751 0.15416438 0.25045244 1.0 O O10 1 0.50057962 0.25007400 0.31115350 1.0 O O11 1 0.32742806 0.57583379 0.00937326 1.0 O O12 1 0.17302549 0.92337349 0.50949229 1.0 O O13 1 0.40488093 0.84632547 0.24979402 1.0 O O14 1 0.90520496 0.34651019 0.24891932 1.0 O O15 1 0.00013954 0.75039717 0.18897874 1.0 O O16 1 0.82800489 0.57594846 0.50903742 1.0 O O17 1 -0.00013954 0.24960283 0.81102126 1.0 O O18 1 0.59511907 0.15367453 0.75020598 1.0 O O19 1 0.59517881 0.65347868 0.25069896 1.0 O O20 1 0.40482119 0.34652132 0.74930104 1.0 O O21 1 0.09479504 0.65348981 0.75108068 1.0 O O22 1 0.82697451 0.07662651 0.49050771 1.0 O O23 1 0.67257194 0.42416621 -0.00937326 1.0 O O24 1 0.17199511 0.42405154 0.49096258 1.0 O O25 1 0.32723656 0.07695447 -0.00904150 1.0 O O26 1 0.49942038 0.74992600 0.68884650 1.0 O O27 1 0.67276344 0.92304553 0.00904150 1.0