# generated using pymatgen
data_SmAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.38921597
_cell_length_b   11.38921597
_cell_length_c   51.17927675
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl2
_chemical_formula_sum   'Sm40 Al80'
_cell_volume   5749.26640223
_cell_formula_units_Z   40
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
  Sm  Sm1  1  0.293196  0.084353  0.283799  1
  Sm  Sm2  1  0.626530  0.251020  0.307947  1
  Sm  Sm3  1  0.293196  0.584353  0.283799  1
  Sm  Sm4  1  0.626530  0.751020  0.307947  1
  Sm  Sm5  1  0.793196  0.584353  0.283799  1
  Sm  Sm6  1  0.126530  0.751020  0.307947  1
  Sm  Sm7  1  0.793196  0.084353  0.283799  1
  Sm  Sm8  1  0.126530  0.251020  0.307947  1
  Sm  Sm9  1  0.626530  0.751020  0.375504  1
  Sm  Sm10  1  0.959863  0.917686  0.398251  1
  Sm  Sm11  1  0.626530  0.251020  0.375504  1
  Sm  Sm12  1  0.959863  0.417686  0.398251  1
  Sm  Sm13  1  0.126530  0.251020  0.375504  1
  Sm  Sm14  1  0.459863  0.417686  0.398251  1
  Sm  Sm15  1  0.126530  0.751020  0.375504  1
  Sm  Sm16  1  0.459863  0.917686  0.398251  1
  Sm  Sm17  1  0.959863  0.417686  0.466655  1
  Sm  Sm18  1  0.293196  0.584353  0.489535  1
  Sm  Sm19  1  0.959863  0.917686  0.466655  1
  Sm  Sm20  1  0.293196  0.084353  0.489535  1
  Sm  Sm21  1  0.459863  0.917686  0.466655  1
  Sm  Sm22  1  0.793196  0.084353  0.489535  1
  Sm  Sm23  1  0.459863  0.417686  0.466655  1
  Sm  Sm24  1  0.793196  0.584353  0.489535  1
  Sm  Sm25  1  0.293196  0.084353  0.557997  1
  Sm  Sm26  1  0.626530  0.251020  0.580494  1
  Sm  Sm27  1  0.293196  0.584353  0.557997  1
  Sm  Sm28  1  0.626530  0.751020  0.580494  1
  Sm  Sm29  1  0.793196  0.584353  0.557997  1
  Sm  Sm30  1  0.126530  0.751020  0.580494  1
  Sm  Sm31  1  0.793196  0.084353  0.557997  1
  Sm  Sm32  1  0.126530  0.251020  0.580494  1
  Sm  Sm33  1  0.626530  0.751020  0.648165  1
  Sm  Sm34  1  0.959863  0.917686  0.673728  1
  Sm  Sm35  1  0.626530  0.251020  0.648165  1
  Sm  Sm36  1  0.959863  0.417686  0.673728  1
  Sm  Sm37  1  0.126530  0.251020  0.648165  1
  Sm  Sm38  1  0.459863  0.417686  0.673728  1
  Sm  Sm39  1  0.126530  0.751020  0.648165  1
  Sm  Sm40  1  0.459863  0.917686  0.673728  1
  Al  Al41  1  0.876351  0.750663  0.341325  1
  Al  Al42  1  0.959863  0.917686  0.296305  1
  Al  Al43  1  0.126887  0.001198  0.341325  1
  Al  Al44  1  0.876351  0.001198  0.341325  1
  Al  Al45  1  0.876351  0.250663  0.341325  1
  Al  Al46  1  0.959863  0.417686  0.296305  1
  Al  Al47  1  0.126887  0.501198  0.341325  1
  Al  Al48  1  0.876351  0.501198  0.341325  1
  Al  Al49  1  0.376351  0.250663  0.341325  1
  Al  Al50  1  0.459863  0.417686  0.296305  1
  Al  Al51  1  0.626887  0.501198  0.341325  1
  Al  Al52  1  0.376351  0.501198  0.341325  1
  Al  Al53  1  0.376351  0.750663  0.341325  1
  Al  Al54  1  0.459863  0.917686  0.296305  1
  Al  Al55  1  0.626887  0.001198  0.341325  1
  Al  Al56  1  0.376351  0.001198  0.341325  1
  Al  Al57  1  0.209868  0.417696  0.432490  1
  Al  Al58  1  0.293196  0.584353  0.386895  1
  Al  Al59  1  0.459853  0.667681  0.432490  1
  Al  Al60  1  0.209868  0.667681  0.432490  1
  Al  Al61  1  0.209868  0.917696  0.432490  1
  Al  Al62  1  0.293196  0.084353  0.386895  1
  Al  Al63  1  0.459853  0.167681  0.432490  1
  Al  Al64  1  0.209868  0.167681  0.432490  1
  Al  Al65  1  0.709868  0.917696  0.432490  1
  Al  Al66  1  0.793196  0.084353  0.386895  1
  Al  Al67  1  0.959853  0.167681  0.432490  1
  Al  Al68  1  0.709868  0.167681  0.432490  1
  Al  Al69  1  0.709868  0.417696  0.432490  1
  Al  Al70  1  0.793196  0.584353  0.386895  1
  Al  Al71  1  0.959853  0.667681  0.432490  1
  Al  Al72  1  0.709868  0.667681  0.432490  1
  Al  Al73  1  0.543163  0.084286  0.523673  1
  Al  Al74  1  0.626530  0.251020  0.478084  1
  Al  Al75  1  0.793264  0.334387  0.523673  1
  Al  Al76  1  0.543163  0.334387  0.523673  1
  Al  Al77  1  0.543163  0.584286  0.523673  1
  Al  Al78  1  0.626530  0.751020  0.478084  1
  Al  Al79  1  0.793264  0.834387  0.523673  1
  Al  Al80  1  0.543163  0.834387  0.523673  1
  Al  Al81  1  0.043163  0.584286  0.523673  1
  Al  Al82  1  0.126530  0.751020  0.478084  1
  Al  Al83  1  0.293264  0.834387  0.523673  1
  Al  Al84  1  0.043163  0.834387  0.523673  1
  Al  Al85  1  0.043163  0.084286  0.523673  1
  Al  Al86  1  0.126530  0.251020  0.478084  1
  Al  Al87  1  0.293264  0.334387  0.523673  1
  Al  Al88  1  0.043163  0.334387  0.523673  1
  Al  Al89  1  0.876922  0.751805  0.615114  1
  Al  Al90  1  0.959863  0.917686  0.569343  1
  Al  Al91  1  0.125745  1.000627  0.615114  1
  Al  Al92  1  0.876922  1.000627  0.615114  1
  Al  Al93  1  0.876922  0.251805  0.615114  1
  Al  Al94  1  0.959863  0.417686  0.569343  1
  Al  Al95  1  0.125745  0.500627  0.615114  1
  Al  Al96  1  0.876922  0.500627  0.615114  1
  Al  Al97  1  0.376922  0.251805  0.615114  1
  Al  Al98  1  0.459863  0.417686  0.569343  1
  Al  Al99  1  0.625745  0.500627  0.615114  1
  Al  Al100  1  0.376922  0.500627  0.615114  1
  Al  Al101  1  0.376922  0.751805  0.615114  1
  Al  Al102  1  0.459863  0.917686  0.569343  1
  Al  Al103  1  0.625745  1.000627  0.615114  1
  Al  Al104  1  0.376922  1.000627  0.615114  1
  Al  Al105  1  0.209116  0.416193  0.703543  1
  Al  Al106  1  0.293196  0.584353  0.659656  1
  Al  Al107  1  0.461356  0.668433  0.703543  1
  Al  Al108  1  0.209116  0.668433  0.703543  1
  Al  Al109  1  0.209116  0.916193  0.703543  1
  Al  Al110  1  0.293196  0.084353  0.659656  1
  Al  Al111  1  0.461356  0.168433  0.703543  1
  Al  Al112  1  0.209116  0.168433  0.703543  1
  Al  Al113  1  0.709116  0.916193  0.703543  1
  Al  Al114  1  0.793196  0.084353  0.659656  1
  Al  Al115  1  0.961356  0.168433  0.703543  1
  Al  Al116  1  0.709116  0.168433  0.703543  1
  Al  Al117  1  0.709116  0.416193  0.703543  1
  Al  Al118  1  0.793196  0.584353  0.659656  1
  Al  Al119  1  0.961356  0.668433  0.703543  1
  Al  Al120  1  0.709116  0.668433  0.703543  1
