# generated using pymatgen
data_Cr22Ni50Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15031848
_cell_length_b   11.54764006
_cell_length_c   11.96547864
_cell_angle_alpha   88.89960605
_cell_angle_beta   80.37041727
_cell_angle_gamma   89.42448269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr22Ni50Mo3
_chemical_formula_sum   'Cr22 Ni50 Mo3'
_cell_volume   837.65960308
_cell_formula_units_Z   1
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  0.00566700  0.99570300  0.00248000  1
  Cr  Cr1  1  0.32052100  0.87917300  0.04015700  1
  Cr  Cr2  1  0.64041400  0.75942000  0.08072000  1
  Cr  Cr3  1  0.28128900  0.52082300  0.16052200  1
  Cr  Cr4  1  0.96030100  0.64052300  0.12124600  1
  Cr  Cr5  1  0.59950700  0.40122500  0.20157300  1
  Cr  Cr6  1  0.23782600  0.16083500  0.27951100  1
  Cr  Cr7  1  0.92105200  0.28017800  0.24182100  1
  Cr  Cr8  1  0.56166500  0.03877500  0.32052300  1
  Cr  Cr9  1  0.19940000  0.79917200  0.39910600  1
  Cr  Cr10  1  0.87810100  0.91935700  0.35943300  1
  Cr  Cr11  1  0.51986700  0.67964200  0.44005400  1
  Cr  Cr12  1  0.16106500  0.44109000  0.51843200  1
  Cr  Cr13  1  0.84035800  0.56058100  0.47967300  1
  Cr  Cr14  1  0.48068200  0.32059200  0.55918100  1
  Cr  Cr15  1  0.79470200  0.20318600  0.59753000  1
  Cr  Cr16  1  0.44398000  0.95609700  0.68012200  1
  Cr  Cr17  1  0.07928700  0.71991300  0.75978800  1
  Cr  Cr18  1  0.76042300  0.83870900  0.71927400  1
  Cr  Cr19  1  0.39932800  0.60041700  0.79980500  1
  Cr  Cr20  1  0.71369800  0.48411000  0.83848200  1
  Cr  Cr21  1  0.36102300  0.24044000  0.92059300  1
  Ni  Ni22  1  0.94739900  0.85215200  0.16153800  1
  Ni  Ni23  1  0.26797400  0.73303800  0.20046800  1
  Ni  Ni24  1  0.58739700  0.61324000  0.24094900  1
  Ni  Ni25  1  0.22727700  0.37399300  0.31923700  1
  Ni  Ni26  1  0.90691900  0.49383100  0.28167100  1
  Ni  Ni27  1  0.54729100  0.25339500  0.36054800  1
  Ni  Ni28  1  0.18796000  0.01224000  0.43590700  1
  Ni  Ni29  1  0.86822700  0.13320400  0.39928200  1
  Ni  Ni30  1  0.50387700  0.89293600  0.47956400  1
  Ni  Ni31  1  0.14602000  0.65365500  0.55893800  1
  Ni  Ni32  1  0.82529900  0.77320400  0.51922300  1
  Ni  Ni33  1  0.46655700  0.53406800  0.59955000  1
  Ni  Ni34  1  0.10827500  0.29585300  0.67674100  1
  Ni  Ni35  1  0.78787700  0.41583300  0.63877700  1
  Ni  Ni36  1  0.42807500  0.17457300  0.72062700  1
  Ni  Ni37  1  0.06337900  0.92992800  0.80171900  1
  Ni  Ni38  1  0.74349200  0.05153200  0.75833000  1
  Ni  Ni39  1  0.38601800  0.81190900  0.84018900  1
  Ni  Ni40  1  0.02628200  0.57638300  0.92068100  1
  Ni  Ni41  1  0.70612800  0.69348700  0.87959900  1
  Ni  Ni42  1  0.34842400  0.45604300  0.96112700  1
  Ni  Ni43  1  0.98780600  0.21313200  0.04468800  1
  Ni  Ni44  1  0.66298000  0.33629500  0.00263500  1
  Ni  Ni45  1  0.30373400  0.09229800  0.08241100  1
  Ni  Ni46  1  0.62613200  0.97093100  0.12280400  1
  Ni  Ni47  1  0.93119200  0.06564600  0.20188400  1
  Ni  Ni48  1  0.25298500  0.94623900  0.23965100  1
  Ni  Ni49  1  0.57252100  0.82616500  0.28098400  1
  Ni  Ni50  1  0.21337300  0.58728300  0.35919400  1
  Ni  Ni51  1  0.89292100  0.70700800  0.32008600  1
  Ni  Ni52  1  0.53265600  0.46733300  0.39984600  1
  Ni  Ni53  1  0.17465000  0.22839000  0.47621700  1
  Ni  Ni54  1  0.85311600  0.34782500  0.43899700  1
  Ni  Ni55  1  0.49682500  0.10675300  0.51764500  1
  Ni  Ni56  1  0.13288600  0.86325800  0.59880600  1
  Ni  Ni57  1  0.81126100  0.98426200  0.55729300  1
  Ni  Ni58  1  0.45348200  0.74538300  0.63982600  1
  Ni  Ni59  1  0.09417200  0.50968600  0.71792600  1
  Ni  Ni60  1  0.77331200  0.62755200  0.67905500  1
  Ni  Ni61  1  0.41653300  0.38814400  0.75798200  1
  Ni  Ni62  1  0.05641200  0.14476200  0.84127700  1
  Ni  Ni63  1  0.73369000  0.26796100  0.79676900  1
  Ni  Ni64  1  0.37079600  0.02378800  0.87918100  1
  Ni  Ni65  1  0.01425700  0.78559500  0.96107700  1
  Ni  Ni66  1  0.69299000  0.90333300  0.91999200  1
  Ni  Ni67  1  0.33496100  0.66683300  0.00021600  1
  Ni  Ni68  1  0.97320300  0.42784100  0.08378700  1
  Ni  Ni69  1  0.65601400  0.54793100  0.04016900  1
  Ni  Ni70  1  0.29359800  0.30674100  0.12074700  1
  Ni  Ni71  1  0.61152000  0.18712500  0.16423700  1
  Mo  Mo72  1  0.12059000  0.07904500  0.63858400  1
  Mo  Mo73  1  0.03952000  0.36118600  0.88057400  1
  Mo  Mo74  1  0.67961100  0.11981400  0.96077400  1
