# generated using pymatgen
data_Al45Cr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.59892904
_cell_length_b   7.56075473
_cell_length_c   10.92766192
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.35847162
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al45Cr7
_chemical_formula_sum   'Al90 Cr14'
_cell_volume   1624.40130365
_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
  Al  Al0  1  0.00000000  0.50000000  0.50000000  1
  Al  Al1  1  0.88492100  0.50000000  0.77081900  1
  Al  Al2  1  0.61507900  0.00000000  0.22918100  1
  Al  Al3  1  0.70757800  0.00000000  0.48602100  1
  Al  Al4  1  0.79242200  0.50000000  0.51397900  1
  Al  Al5  1  0.62594400  0.00000000  0.63408500  1
  Al  Al6  1  0.87405600  0.50000000  0.36591500  1
  Al  Al7  1  0.97794700  0.50000000  0.24365100  1
  Al  Al8  1  0.52205300  0.00000000  0.75634900  1
  Al  Al9  1  0.91943200  0.00000000  0.56038000  1
  Al  Al10  1  0.58056800  0.50000000  0.43962000  1
  Al  Al11  1  0.87151500  0.00000000  0.88786700  1
  Al  Al12  1  0.62848500  0.50000000  0.11213300  1
  Al  Al13  1  0.90961300  0.00000000  0.15742500  1
  Al  Al14  1  0.59038700  0.50000000  0.84257500  1
  Al  Al15  1  0.77602000  0.00000000  0.00938600  1
  Al  Al16  1  0.72398000  0.50000000  0.99061400  1
  Al  Al17  1  0.81830200  0.18686700  0.64507800  1
  Al  Al18  1  0.68169800  0.68686700  0.35492200  1
  Al  Al19  1  0.68169800  0.31313300  0.35492200  1
  Al  Al20  1  0.81830200  0.81313300  0.64507800  1
  Al  Al21  1  0.93071900  0.31765900  0.00977600  1
  Al  Al22  1  0.56928100  0.81765900  0.99022400  1
  Al  Al23  1  0.56928100  0.18234100  0.99022400  1
  Al  Al24  1  0.93071900  0.68234100  0.00977600  1
  Al  Al25  1  0.53589400  0.68845700  0.20514600  1
  Al  Al26  1  0.96410600  0.18845700  0.79485400  1
  Al  Al27  1  0.96410600  0.81154300  0.79485400  1
  Al  Al28  1  0.53589400  0.31154300  0.20514600  1
  Al  Al29  1  0.68977700  0.31472700  0.61909500  1
  Al  Al30  1  0.81022300  0.81472700  0.38090500  1
  Al  Al31  1  0.81022300  0.18527300  0.38090500  1
  Al  Al32  1  0.68977700  0.68527300  0.61909500  1
  Al  Al33  1  0.95441300  0.19663600  0.37824300  1
  Al  Al34  1  0.54558700  0.69663600  0.62175700  1
  Al  Al35  1  0.54558700  0.30336400  0.62175700  1
  Al  Al36  1  0.95441300  0.80336400  0.37824300  1
  Al  Al37  1  0.83457700  0.30694500  0.14523100  1
  Al  Al38  1  0.66542300  0.80694500  0.85476900  1
  Al  Al39  1  0.66542300  0.19305500  0.85476900  1
  Al  Al40  1  0.83457700  0.69305500  0.14523100  1
  Al  Al41  1  0.79351500  0.31262100  0.86569800  1
  Al  Al42  1  0.70648500  0.81262100  0.13430200  1
  Al  Al43  1  0.70648500  0.18737900  0.13430200  1
  Al  Al44  1  0.79351500  0.68737900  0.86569800  1
  Al  Al45  1  0.50000000  0.00000000  0.50000000  1
  Al  Al46  1  0.38492100  0.00000000  0.77081900  1
  Al  Al47  1  0.11507900  0.50000000  0.22918100  1
  Al  Al48  1  0.20757800  0.50000000  0.48602100  1
  Al  Al49  1  0.29242200  0.00000000  0.51397900  1
  Al  Al50  1  0.12594400  0.50000000  0.63408500  1
  Al  Al51  1  0.37405600  0.00000000  0.36591500  1
  Al  Al52  1  0.47794700  0.00000000  0.24365100  1
  Al  Al53  1  0.02205300  0.50000000  0.75634900  1
  Al  Al54  1  0.41943200  0.50000000  0.56038000  1
  Al  Al55  1  0.08056800  0.00000000  0.43962000  1
  Al  Al56  1  0.37151500  0.50000000  0.88786700  1
  Al  Al57  1  0.12848500  0.00000000  0.11213300  1
  Al  Al58  1  0.40961300  0.50000000  0.15742500  1
  Al  Al59  1  0.09038700  0.00000000  0.84257500  1
  Al  Al60  1  0.27602000  0.50000000  0.00938600  1
  Al  Al61  1  0.22398000  0.00000000  0.99061400  1
  Al  Al62  1  0.31830200  0.68686700  0.64507800  1
  Al  Al63  1  0.18169800  0.18686700  0.35492200  1
  Al  Al64  1  0.18169800  0.81313300  0.35492200  1
  Al  Al65  1  0.31830200  0.31313300  0.64507800  1
  Al  Al66  1  0.43071900  0.81765900  0.00977600  1
  Al  Al67  1  0.06928100  0.31765900  0.99022400  1
  Al  Al68  1  0.06928100  0.68234100  0.99022400  1
  Al  Al69  1  0.43071900  0.18234100  0.00977600  1
  Al  Al70  1  0.03589400  0.18845700  0.20514600  1
  Al  Al71  1  0.46410600  0.68845700  0.79485400  1
  Al  Al72  1  0.46410600  0.31154300  0.79485400  1
  Al  Al73  1  0.03589400  0.81154300  0.20514600  1
  Al  Al74  1  0.18977700  0.81472700  0.61909500  1
  Al  Al75  1  0.31022300  0.31472700  0.38090500  1
  Al  Al76  1  0.31022300  0.68527300  0.38090500  1
  Al  Al77  1  0.18977700  0.18527300  0.61909500  1
  Al  Al78  1  0.45441300  0.69663600  0.37824300  1
  Al  Al79  1  0.04558700  0.19663600  0.62175700  1
  Al  Al80  1  0.04558700  0.80336400  0.62175700  1
  Al  Al81  1  0.45441300  0.30336400  0.37824300  1
  Al  Al82  1  0.33457700  0.80694500  0.14523100  1
  Al  Al83  1  0.16542300  0.30694500  0.85476900  1
  Al  Al84  1  0.16542300  0.69305500  0.85476900  1
  Al  Al85  1  0.33457700  0.19305500  0.14523100  1
  Al  Al86  1  0.29351500  0.81262100  0.86569800  1
  Al  Al87  1  0.20648500  0.31262100  0.13430200  1
  Al  Al88  1  0.20648500  0.68737900  0.13430200  1
  Al  Al89  1  0.29351500  0.18737900  0.86569800  1
  Cr  Cr90  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr91  1  0.74979400  0.00000000  0.76172700  1
  Cr  Cr92  1  0.75020600  0.50000000  0.23827300  1
  Cr  Cr93  1  0.91479900  0.32529500  0.58211300  1
  Cr  Cr94  1  0.58520100  0.82529500  0.41788700  1
  Cr  Cr95  1  0.58520100  0.17470500  0.41788700  1
  Cr  Cr96  1  0.91479900  0.67470500  0.58211300  1
  Cr  Cr97  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr98  1  0.24979400  0.50000000  0.76172700  1
  Cr  Cr99  1  0.25020600  0.00000000  0.23827300  1
  Cr  Cr100  1  0.41479900  0.82529500  0.58211300  1
  Cr  Cr101  1  0.08520100  0.32529500  0.41788700  1
  Cr  Cr102  1  0.08520100  0.67470500  0.41788700  1
  Cr  Cr103  1  0.41479900  0.17470500  0.58211300  1
