# generated using pymatgen data_CuMoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81121000 _cell_length_b 8.56909371 _cell_length_c 9.91004570 _cell_angle_alpha 96.31379611 _cell_angle_beta 106.85744100 _cell_angle_gamma 100.92716597 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuMoO4 _chemical_formula_sum 'Cu6 Mo6 O24' _cell_volume 535.07859793 _cell_formula_units_Z 6 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 Cu Cu0 1 0.54700700 0.69988000 0.48721400 1.0 Cu Cu1 1 0.74834600 0.30081300 0.08877400 1.0 Cu Cu2 1 0.25165400 0.69918700 0.91122600 1.0 Cu Cu3 1 0.96709500 0.89285600 0.74175200 1.0 Cu Cu4 1 0.03290500 0.10714400 0.25824800 1.0 Cu Cu5 1 0.45299300 0.30012000 0.51278600 1.0 Mo Mo6 1 0.99769800 0.27916500 0.60926500 1.0 Mo Mo7 1 0.49489500 0.97223200 0.75059300 1.0 Mo Mo8 1 0.69550000 0.58841900 0.84288500 1.0 Mo Mo9 1 0.00230200 0.72083500 0.39073500 1.0 Mo Mo10 1 0.50510500 0.02776800 0.24940700 1.0 Mo Mo11 1 0.30450000 0.41158100 0.15711500 1.0 O O12 1 0.56753500 0.88564700 0.35832700 1.0 O O13 1 0.55842900 0.50018900 0.65820000 1.0 O O14 1 0.98891200 0.89855600 0.30923600 1.0 O O15 1 0.43246500 0.11435300 0.64167300 1.0 O O16 1 0.65661600 0.08058200 0.91668400 1.0 O O17 1 0.66241000 0.85069100 0.68290800 1.0 O O18 1 0.74643400 0.43076300 0.93862800 1.0 O O19 1 0.75194100 0.14330600 0.22550400 1.0 O O20 1 0.90364200 0.55099300 0.25460100 1.0 O O21 1 0.24805900 0.85669400 0.77449600 1.0 O O22 1 0.09635800 0.44900700 0.74539900 1.0 O O23 1 0.84542100 0.70814400 0.51250700 1.0 O O24 1 0.01108800 0.10144400 0.69076400 1.0 O O25 1 0.34338400 0.91941800 0.08331600 1.0 O O26 1 0.25356600 0.56923700 0.06137200 1.0 O O27 1 0.46112500 0.30288500 0.08290900 1.0 O O28 1 0.27341500 0.72732900 0.49333000 1.0 O O29 1 0.53887500 0.69711500 0.91709100 1.0 O O30 1 0.72658500 0.27267100 0.50667000 1.0 O O31 1 0.95447700 0.72695100 0.86679200 1.0 O O32 1 0.33759000 0.14930900 0.31709200 1.0 O O33 1 0.44157100 0.49981100 0.34180000 1.0 O O34 1 0.04552300 0.27304900 0.13320800 1.0 O O35 1 0.15457900 0.29185600 0.48749300 1.0