# generated using pymatgen data_MoPO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48247000 _cell_length_b 10.86194600 _cell_length_c 13.05318300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPO5 _chemical_formula_sum 'Mo8 P8 O40' _cell_volume 919.10384224 _cell_formula_units_Z 8 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 0.02547000 0.52513900 0.11844000 1.0 Mo Mo1 1 0.25015800 0.25950100 0.24097500 1.0 Mo Mo2 1 0.75015800 0.75950100 0.25902500 1.0 Mo Mo3 1 0.52547000 0.02513900 0.38156000 1.0 Mo Mo4 1 0.47453000 0.52513900 0.61844000 1.0 Mo Mo5 1 0.24984200 0.25950100 0.74097500 1.0 Mo Mo6 1 0.74984200 0.75950100 0.75902500 1.0 Mo Mo7 1 0.97453000 0.02513900 0.88156000 1.0 P P8 1 0.84170500 0.76569600 0.00535500 1.0 P P9 1 0.52627700 0.50479500 0.18135300 1.0 P P10 1 0.02627700 0.00479500 0.31864700 1.0 P P11 1 0.34170500 0.26569600 0.49464500 1.0 P P12 1 0.65829500 0.76569600 0.50535500 1.0 P P13 1 0.97372300 0.50479500 0.68135300 1.0 P P14 1 0.47372300 0.00479500 0.81864700 1.0 P P15 1 0.15829500 0.26569600 0.99464500 1.0 O O16 1 0.95109500 0.89141100 0.98815500 1.0 O O17 1 0.00697400 0.66278700 0.01532600 1.0 O O18 1 0.29998000 0.24024000 0.08779600 1.0 O O19 1 0.71409800 0.49112100 0.10999400 1.0 O O20 1 0.71072000 0.77151800 0.10365700 1.0 O O21 1 0.33632300 0.54148200 0.11582800 1.0 O O22 1 0.06579300 0.37967500 0.21751300 1.0 O O23 1 0.06947300 0.10986500 0.23962700 1.0 O O24 1 0.97853600 0.63112800 0.22298800 1.0 O O25 1 0.48477100 0.38573300 0.24288100 1.0 O O26 1 0.98477100 0.88573300 0.25711900 1.0 O O27 1 0.47853600 0.13112800 0.27701200 1.0 O O28 1 0.56947300 0.60986500 0.26037300 1.0 O O29 1 0.56579300 0.87967500 0.28248700 1.0 O O30 1 0.83632300 0.04148200 0.38417200 1.0 O O31 1 0.21072000 0.27151800 0.39634300 1.0 O O32 1 0.21409800 0.99112100 0.39000600 1.0 O O33 1 0.79998000 0.74024000 0.41220400 1.0 O O34 1 0.50697400 0.16278700 0.48467400 1.0 O O35 1 0.45109500 0.39141100 0.51184500 1.0 O O36 1 0.54890500 0.89141100 0.48815500 1.0 O O37 1 0.49302600 0.66278700 0.51532600 1.0 O O38 1 0.20002000 0.24024000 0.58779600 1.0 O O39 1 0.78590200 0.49112100 0.60999400 1.0 O O40 1 0.78928000 0.77151800 0.60365700 1.0 O O41 1 0.16367700 0.54148200 0.61582800 1.0 O O42 1 0.43420700 0.37967500 0.71751300 1.0 O O43 1 0.43052700 0.10986500 0.73962700 1.0 O O44 1 0.52146400 0.63112800 0.72298800 1.0 O O45 1 0.01522900 0.38573300 0.74288100 1.0 O O46 1 0.51522900 0.88573300 0.75711900 1.0 O O47 1 0.02146400 0.13112800 0.77701200 1.0 O O48 1 0.93052700 0.60986500 0.76037300 1.0 O O49 1 0.93420700 0.87967500 0.78248700 1.0 O O50 1 0.66367700 0.04148200 0.88417200 1.0 O O51 1 0.28928000 0.27151800 0.89634300 1.0 O O52 1 0.28590200 0.99112100 0.89000600 1.0 O O53 1 0.70002000 0.74024000 0.91220400 1.0 O O54 1 0.99302600 0.16278700 0.98467400 1.0 O O55 1 0.04890500 0.39141100 0.01184500 1.0