# generated using pymatgen data_Cr7Ni20Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20317010 _cell_length_b 6.20333388 _cell_length_c 18.95314550 _cell_angle_alpha 90.11906451 _cell_angle_beta 96.30080254 _cell_angle_gamma 108.52057282 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr7Ni20Mo3 _chemical_formula_sum 'Cr14 Ni40 Mo6' _cell_volume 686.84596630 _cell_formula_units_Z 2 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 Cr Cr0 1 0.79978000 0.60023700 0.79989200 1.0 Cr Cr1 1 0.30010300 0.09979000 0.79997600 1.0 Cr Cr2 1 0.54917300 0.84921500 0.79994700 1.0 Cr Cr3 1 0.05085600 0.35064300 0.79989700 1.0 Cr Cr4 1 0.59650500 0.20437000 0.60034500 1.0 Cr Cr5 1 0.35001100 0.44955500 0.60038900 1.0 Cr Cr6 1 0.10329000 0.69614400 0.60044500 1.0 Cr Cr7 1 0.89999300 0.30046300 0.40066200 1.0 Cr Cr8 1 0.65436900 0.54459600 0.40063800 1.0 Cr Cr9 1 0.14669000 0.05494200 0.40063300 1.0 Cr Cr10 1 0.44987300 0.15017700 0.19997600 1.0 Cr Cr11 1 0.49552600 0.50329500 0.99905500 1.0 Cr Cr12 1 0.00402900 0.99632500 0.99911500 1.0 Cr Cr13 1 0.24965300 0.75055700 0.99905100 1.0 Ni Ni14 1 0.40034200 0.46625900 0.73322400 1.0 Ni Ni15 1 0.90055800 0.96676700 0.73476600 1.0 Ni Ni16 1 0.14930100 0.71739300 0.73329000 1.0 Ni Ni17 1 0.65028800 0.21602700 0.73296900 1.0 Ni Ni18 1 0.20405700 0.06768100 0.53270500 1.0 Ni Ni19 1 0.44633800 0.81471500 0.53434700 1.0 Ni Ni20 1 0.95170000 0.32035100 0.53261600 1.0 Ni Ni21 1 0.69714200 0.56356000 0.53272000 1.0 Ni Ni22 1 0.50197800 0.17038500 0.33314300 1.0 Ni Ni23 1 0.24773600 0.41332400 0.33478400 1.0 Ni Ni24 1 0.75512400 0.91820200 0.33444500 1.0 Ni Ni25 1 0.99635700 0.66481700 0.33489500 1.0 Ni Ni26 1 0.54838800 0.51219300 0.13087900 1.0 Ni Ni27 1 0.05211400 0.01785600 0.13090400 1.0 Ni Ni28 1 0.29997500 0.76988600 0.13064100 1.0 Ni Ni29 1 0.79585200 0.26558100 0.13250500 1.0 Ni Ni30 1 0.34575800 0.11456800 0.93243600 1.0 Ni Ni31 1 0.10338900 0.36834800 0.93219300 1.0 Ni Ni32 1 0.59792100 0.86240400 0.93215300 1.0 Ni Ni33 1 0.85160700 0.62028700 0.93210700 1.0 Ni Ni34 1 0.74824000 0.57982100 0.66748900 1.0 Ni Ni35 1 0.25416400 0.08536400 0.66751000 1.0 Ni Ni36 1 0.49652300 0.83163500 0.66773500 1.0 Ni Ni37 1 0.00209900 0.33737000 0.66740700 1.0 Ni Ni38 1 0.55282100 0.18688000 0.46730000 1.0 Ni Ni39 1 0.80411800 0.93536200 0.46617100 1.0 Ni Ni40 1 0.29825400 0.42960500 0.46768500 1.0 Ni Ni41 1 0.04593200 0.68214800 0.46770000 1.0 Ni Ni42 1 0.84756800 0.28267500 0.26946800 1.0 Ni Ni43 1 0.59939100 0.53074300 0.26908200 1.0 Ni Ni44 1 0.10508900 0.03418500 0.26911800 1.0 Ni Ni45 1 0.35137500 0.78716900 0.26745700 1.0 Ni Ni46 1 0.90144700 0.63703700 0.06522400 1.0 Ni Ni47 1 0.39646100 0.13155500 0.06695000 1.0 Ni Ni48 1 0.64829600 0.87853000 0.06535100 1.0 Ni Ni49 1 0.15292700 0.38582400 0.06534700 1.0 Ni Ni50 1 0.69921600 0.23326200 0.86506200 1.0 Ni Ni51 1 0.45072900 0.48261600 0.86660500 1.0 Ni Ni52 1 0.94956100 0.98396500 0.86695100 1.0 Ni Ni53 1 0.19970400 0.73376800 0.86664500 1.0 Mo Mo54 1 0.85097500 0.95002200 0.60042300 1.0 Mo Mo55 1 0.39988300 0.80034700 0.40081300 1.0 Mo Mo56 1 0.94970300 0.65022400 0.19993900 1.0 Mo Mo57 1 0.69450600 0.90536400 0.19992600 1.0 Mo Mo58 1 0.20613300 0.39395200 0.19998400 1.0 Mo Mo59 1 0.74911500 0.24966800 0.99891400 1.0