# generated using pymatgen
data_Nb8CrFeSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99379061
_cell_length_b   6.99379097
_cell_length_c   12.74287500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb8CrFeSe16
_chemical_formula_sum   'Nb8 Cr1 Fe1 Se16'
_cell_volume   539.78813696
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.00000000  0.00000000  0.24756717  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.75243283  1.0
  Nb  Nb2  1  0.50886483  0.01772867  0.25038399  1.0
  Nb  Nb3  1  0.98227133  0.49113517  0.25038399  1.0
  Nb  Nb4  1  0.50886483  0.49113517  0.25038399  1.0
  Nb  Nb5  1  0.49113517  0.98227133  0.74961601  1.0
  Nb  Nb6  1  0.01772867  0.50886483  0.74961601  1.0
  Nb  Nb7  1  0.49113517  0.50886483  0.74961601  1.0
  Cr  Cr8  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe9  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se10  1  0.33333300  0.66666700  0.88521298  1.0
  Se  Se11  1  0.66666700  0.33333300  0.11478702  1.0
  Se  Se12  1  0.66666700  0.33333300  0.38622514  1.0
  Se  Se13  1  0.33333300  0.66666700  0.61377486  1.0
  Se  Se14  1  0.16691308  0.83308692  0.37941924  1.0
  Se  Se15  1  0.16691308  0.33382616  0.37941924  1.0
  Se  Se16  1  0.66617384  0.83308692  0.37941924  1.0
  Se  Se17  1  0.83308692  0.16691308  0.62058076  1.0
  Se  Se18  1  0.83308692  0.66617384  0.62058076  1.0
  Se  Se19  1  0.33382616  0.16691308  0.62058076  1.0
  Se  Se20  1  0.83093727  0.16906273  0.87963284  1.0
  Se  Se21  1  0.83093727  0.66187553  0.87963284  1.0
  Se  Se22  1  0.33812447  0.16906273  0.87963284  1.0
  Se  Se23  1  0.16906273  0.83093727  0.12036716  1.0
  Se  Se24  1  0.16906273  0.33812447  0.12036716  1.0
  Se  Se25  1  0.66187553  0.83093727  0.12036716  1.0