# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31787785
_cell_length_b   4.78910862
_cell_length_c   47.29674147
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr40
_cell_volume   978.039197793
_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
  Cr  Cr1  1  0.352049  0.560313  0.278789  1
  Cr  Cr2  1  0.840746  0.465076  0.303202  1
  Cr  Cr3  1  0.146866  0.060313  0.278789  1
  Cr  Cr4  1  0.658169  0.965076  0.303202  1
  Cr  Cr5  1  0.330584  0.323400  0.326653  1
  Cr  Cr6  1  0.831489  0.195730  0.349103  1
  Cr  Cr7  1  0.168332  0.823400  0.326653  1
  Cr  Cr8  1  0.667426  0.695730  0.349103  1
  Cr  Cr9  1  0.332215  0.061434  0.371837  1
  Cr  Cr10  1  0.832966  0.929411  0.394431  1
  Cr  Cr11  1  0.166700  0.561434  0.371837  1
  Cr  Cr12  1  0.665950  0.429411  0.394431  1
  Cr  Cr13  1  0.333148  0.796943  0.417109  1
  Cr  Cr14  1  0.833158  0.664487  0.439732  1
  Cr  Cr15  1  0.165767  0.296943  0.417109  1
  Cr  Cr16  1  0.665757  0.164487  0.439732  1
  Cr  Cr17  1  0.333160  0.532059  0.462385  1
  Cr  Cr18  1  0.833154  0.399554  0.485014  1
  Cr  Cr19  1  0.165756  0.032059  0.462385  1
  Cr  Cr20  1  0.665761  0.899554  0.485014  1
  Cr  Cr21  1  0.333154  0.267109  0.507662  1
  Cr  Cr22  1  0.833160  0.134604  0.530291  1
  Cr  Cr23  1  0.165761  0.767109  0.507662  1
  Cr  Cr24  1  0.665756  0.634604  0.530291  1
  Cr  Cr25  1  0.333158  1.002175  0.552944  1
  Cr  Cr26  1  0.833148  0.869719  0.575567  1
  Cr  Cr27  1  0.165757  0.502175  0.552944  1
  Cr  Cr28  1  0.665767  0.369719  0.575567  1
  Cr  Cr29  1  0.332966  0.737251  0.598245  1
  Cr  Cr30  1  0.832215  0.605229  0.620839  1
  Cr  Cr31  1  0.165950  0.237251  0.598245  1
  Cr  Cr32  1  0.666700  0.105229  0.620839  1
  Cr  Cr33  1  0.331489  0.470933  0.643573  1
  Cr  Cr34  1  0.830584  0.343263  0.666023  1
  Cr  Cr35  1  0.167426  0.970933  0.643573  1
  Cr  Cr36  1  0.668332  0.843263  0.666023  1
  Cr  Cr37  1  0.340746  0.201587  0.689474  1
  Cr  Cr38  1  0.852049  0.106350  0.713887  1
  Cr  Cr39  1  0.158169  0.701587  0.689474  1
  Cr  Cr40  1  0.646866  0.606350  0.713887  1
