# generated using pymatgen data_Nd5Mo3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.13778300 _cell_length_b 11.13778300 _cell_length_c 11.13778300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Mo3O16 _chemical_formula_sum 'Nd20 Mo12 O64' _cell_volume 1381.64432181 _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 Nd Nd0 1 0.73977700 0.50000000 0.50000000 1.0 Nd Nd1 1 0.50000000 0.26022300 0.50000000 1.0 Nd Nd2 1 0.25000000 0.25000000 0.75000000 1.0 Nd Nd3 1 0.76022300 0.00000000 0.00000000 1.0 Nd Nd4 1 0.75000000 0.25000000 0.25000000 1.0 Nd Nd5 1 0.25000000 0.75000000 0.25000000 1.0 Nd Nd6 1 0.00000000 0.00000000 0.23977700 1.0 Nd Nd7 1 0.26022300 0.50000000 0.50000000 1.0 Nd Nd8 1 0.50000000 0.50000000 0.73977700 1.0 Nd Nd9 1 0.75000000 0.75000000 0.75000000 1.0 Nd Nd10 1 0.50000000 0.50000000 0.26022300 1.0 Nd Nd11 1 0.23977700 0.00000000 0.00000000 1.0 Nd Nd12 1 0.00000000 0.76022300 0.00000000 1.0 Nd Nd13 1 0.25000000 0.75000000 0.75000000 1.0 Nd Nd14 1 0.75000000 0.25000000 0.75000000 1.0 Nd Nd15 1 0.00000000 0.23977700 0.00000000 1.0 Nd Nd16 1 0.00000000 0.00000000 0.76022300 1.0 Nd Nd17 1 0.25000000 0.25000000 0.25000000 1.0 Nd Nd18 1 0.75000000 0.75000000 0.25000000 1.0 Nd Nd19 1 0.50000000 0.73977700 0.50000000 1.0 Mo Mo20 1 0.50000000 0.25000000 0.00000000 1.0 Mo Mo21 1 0.00000000 0.50000000 0.25000000 1.0 Mo Mo22 1 0.25000000 0.50000000 0.00000000 1.0 Mo Mo23 1 0.75000000 0.50000000 0.00000000 1.0 Mo Mo24 1 0.50000000 0.75000000 0.00000000 1.0 Mo Mo25 1 0.50000000 0.00000000 0.75000000 1.0 Mo Mo26 1 0.00000000 0.50000000 0.75000000 1.0 Mo Mo27 1 0.50000000 0.00000000 0.25000000 1.0 Mo Mo28 1 0.75000000 0.00000000 0.50000000 1.0 Mo Mo29 1 0.00000000 0.75000000 0.50000000 1.0 Mo Mo30 1 0.00000000 0.25000000 0.50000000 1.0 Mo Mo31 1 0.25000000 0.00000000 0.50000000 1.0 O O32 1 0.62900300 0.62900300 0.37099700 1.0 O O33 1 0.11635900 0.33436100 0.58025700 1.0 O O34 1 0.16563900 0.61635900 0.91974300 1.0 O O35 1 0.66563900 0.88364100 0.41974300 1.0 O O36 1 0.62900300 0.37099700 0.62900300 1.0 O O37 1 0.87099700 0.87099700 0.87099700 1.0 O O38 1 0.61635900 0.08025700 0.83436100 1.0 O O39 1 0.41974300 0.33436100 0.11635900 1.0 O O40 1 0.38364100 0.91974300 0.83436100 1.0 O O41 1 0.41974300 0.11635900 0.66563900 1.0 O O42 1 0.37099700 0.62900300 0.37099700 1.0 O O43 1 0.12900300 0.12900300 0.87099700 1.0 O O44 1 0.11635900 0.66563900 0.41974300 1.0 O O45 1 0.12900300 0.87099700 0.87099700 1.0 O O46 1 0.08025700 0.16563900 0.38364100 1.0 O O47 1 0.88364100 0.41974300 0.66563900 1.0 O O48 1 0.38364100 0.16563900 0.91974300 1.0 O O49 1 0.58025700 0.88364100 0.66563900 1.0 O O50 1 0.37099700 0.62900300 0.62900300 1.0 O O51 1 0.66563900 0.58025700 0.88364100 1.0 O O52 1 0.12900300 0.12900300 0.12900300 1.0 O O53 1 0.33436100 0.88364100 0.58025700 1.0 O O54 1 0.16563900 0.08025700 0.61635900 1.0 O O55 1 0.58025700 0.11635900 0.33436100 1.0 O O56 1 0.08025700 0.61635900 0.16563900 1.0 O O57 1 0.62900300 0.37099700 0.37099700 1.0 O O58 1 0.66563900 0.11635900 0.58025700 1.0 O O59 1 0.11635900 0.41974300 0.33436100 1.0 O O60 1 0.87099700 0.12900300 0.87099700 1.0 O O61 1 0.62900300 0.62900300 0.62900300 1.0 O O62 1 0.41974300 0.66563900 0.88364100 1.0 O O63 1 0.83436100 0.08025700 0.38364100 1.0 O O64 1 0.16563900 0.91974300 0.38364100 1.0 O O65 1 0.38364100 0.83436100 0.08025700 1.0 O O66 1 0.88364100 0.66563900 0.58025700 1.0 O O67 1 0.61635900 0.16563900 0.08025700 1.0 O O68 1 0.33436100 0.41974300 0.88364100 1.0 O O69 1 0.16563900 0.38364100 0.08025700 1.0 O O70 1 0.41974300 0.88364100 0.33436100 1.0 O O71 1 0.66563900 0.41974300 0.11635900 1.0 O O72 1 0.12900300 0.87099700 0.12900300 1.0 O O73 1 0.37099700 0.37099700 0.62900300 1.0 O O74 1 0.91974300 0.83436100 0.38364100 1.0 O O75 1 0.83436100 0.91974300 0.61635900 1.0 O O76 1 0.08025700 0.83436100 0.61635900 1.0 O O77 1 0.87099700 0.12900300 0.12900300 1.0 O O78 1 0.91974300 0.38364100 0.16563900 1.0 O O79 1 0.61635900 0.83436100 0.91974300 1.0 O O80 1 0.83436100 0.38364100 0.91974300 1.0 O O81 1 0.11635900 0.58025700 0.66563900 1.0 O O82 1 0.58025700 0.33436100 0.88364100 1.0 O O83 1 0.38364100 0.08025700 0.16563900 1.0 O O84 1 0.33436100 0.11635900 0.41974300 1.0 O O85 1 0.91974300 0.16563900 0.61635900 1.0 O O86 1 0.33436100 0.58025700 0.11635900 1.0 O O87 1 0.08025700 0.38364100 0.83436100 1.0 O O88 1 0.87099700 0.87099700 0.12900300 1.0 O O89 1 0.88364100 0.33436100 0.41974300 1.0 O O90 1 0.37099700 0.37099700 0.37099700 1.0 O O91 1 0.83436100 0.61635900 0.08025700 1.0 O O92 1 0.61635900 0.91974300 0.16563900 1.0 O O93 1 0.88364100 0.58025700 0.33436100 1.0 O O94 1 0.58025700 0.66563900 0.11635900 1.0 O O95 1 0.91974300 0.61635900 0.83436100 1.0