# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00955173
_cell_length_b   5.00955173
_cell_length_c   46.93924614
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr40
_cell_volume   1020.15103332
_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  0.831603  0.665513  0.303926  1
  Cr  Cr2  1  0.831603  0.165513  0.303926  1
  Cr  Cr3  1  0.331603  0.165513  0.303926  1
  Cr  Cr4  1  0.331603  0.665513  0.303926  1
  Cr  Cr5  1  0.164936  0.332180  0.347992  1
  Cr  Cr6  1  0.164936  0.832180  0.347992  1
  Cr  Cr7  1  0.664936  0.832180  0.347992  1
  Cr  Cr8  1  0.664936  0.332180  0.347992  1
  Cr  Cr9  1  0.498269  0.998846  0.391345  1
  Cr  Cr10  1  0.498269  0.498846  0.391345  1
  Cr  Cr11  1  -0.001731  0.498846  0.391345  1
  Cr  Cr12  1  -0.001731  0.998846  0.391345  1
  Cr  Cr13  1  0.831603  0.665513  0.434769  1
  Cr  Cr14  1  0.831603  0.165513  0.434769  1
  Cr  Cr15  1  0.331603  0.165513  0.434769  1
  Cr  Cr16  1  0.331603  0.665513  0.434769  1
  Cr  Cr17  1  0.164936  0.332180  0.478188  1
  Cr  Cr18  1  0.164936  0.832180  0.478188  1
  Cr  Cr19  1  0.664936  0.832180  0.478188  1
  Cr  Cr20  1  0.664936  0.332180  0.478188  1
  Cr  Cr21  1  0.498269  0.998846  0.521608  1
  Cr  Cr22  1  0.498269  0.498846  0.521608  1
  Cr  Cr23  1  -0.001731  0.498846  0.521608  1
  Cr  Cr24  1  -0.001731  0.998846  0.521608  1
  Cr  Cr25  1  0.831603  0.665513  0.565028  1
  Cr  Cr26  1  0.831603  0.165513  0.565028  1
  Cr  Cr27  1  0.331603  0.165513  0.565028  1
  Cr  Cr28  1  0.331603  0.665513  0.565028  1
  Cr  Cr29  1  0.164936  0.332180  0.608451  1
  Cr  Cr30  1  0.164936  0.832180  0.608451  1
  Cr  Cr31  1  0.664936  0.832180  0.608451  1
  Cr  Cr32  1  0.664936  0.332180  0.608451  1
  Cr  Cr33  1  0.498269  0.998846  0.651804  1
  Cr  Cr34  1  0.498269  0.498846  0.651804  1
  Cr  Cr35  1  -0.001731  0.498846  0.651804  1
  Cr  Cr36  1  -0.001731  0.998846  0.651804  1
  Cr  Cr37  1  0.831603  0.665513  0.695870  1
  Cr  Cr38  1  0.831603  0.165513  0.695870  1
  Cr  Cr39  1  0.331603  0.165513  0.695870  1
  Cr  Cr40  1  0.331603  0.665513  0.695870  1
