# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52173400
_cell_length_b   4.71604376
_cell_length_c   47.93308306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.06853546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr22
_cell_volume   550.801489521
_cell_formula_units_Z   22
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  0.933206  0.121401  0.280935  1
  Cr  Cr2  1  0.227675  0.534893  0.310322  1
  Cr  Cr3  1  0.500173  0.994735  0.324034  1
  Cr  Cr4  1  0.819901  0.349223  0.353720  1
  Cr  Cr5  1  0.095913  0.803255  0.363430  1
  Cr  Cr6  1  0.422598  0.142496  0.394698  1
  Cr  Cr7  1  0.697258  0.599996  0.402886  1
  Cr  Cr8  1  0.027332  0.931693  0.435003  1
  Cr  Cr9  1  0.300927  0.391602  0.442613  1
  Cr  Cr10  1  0.632215  0.720577  0.475086  1
  Cr  Cr11  1  0.905377  0.181463  0.482535  1
  Cr  Cr12  1  0.236931  0.509823  0.515093  1
  Cr  Cr13  1  0.510093  0.970710  0.522542  1
  Cr  Cr14  1  0.841382  0.299684  0.555015  1
  Cr  Cr15  1  0.114976  0.759594  0.562625  1
  Cr  Cr16  1  0.445051  0.091291  0.594743  1
  Cr  Cr17  1  0.719710  0.548791  0.602930  1
  Cr  Cr18  1  0.046395  0.888032  0.634198  1
  Cr  Cr19  1  0.322408  0.342063  0.643908  1
  Cr  Cr20  1  0.642135  0.696552  0.673594  1
  Cr  Cr21  1  0.914633  0.156393  0.687306  1
  Cr  Cr22  1  0.209103  0.569886  0.716693  1
