# generated using pymatgen
data_Cr5Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.61635387
_cell_length_b   7.24916766
_cell_length_c   8.48856298
_cell_angle_alpha   90.00000000
_cell_angle_beta   131.94358265
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Se8
_chemical_formula_sum   'Cr10 Se16'
_cell_volume   531.67994062
_cell_formula_units_Z   2
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  Cr0  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr1  1  0.27079500  0.00000000  0.01420300  1
  Cr  Cr2  1  0.22920500  0.50000000  0.98579700  1
  Cr  Cr3  1  0.00000000  0.27167100  0.50000000  1
  Cr  Cr4  1  0.50000000  0.22832900  0.50000000  1
  Cr  Cr5  1  0.50000000  0.50000000  -0.00000000  1
  Cr  Cr6  1  0.77079500  0.50000000  0.01420300  1
  Cr  Cr7  1  0.72920500  0.00000000  0.98579700  1
  Cr  Cr8  1  0.50000000  0.77167100  0.50000000  1
  Cr  Cr9  1  0.00000000  0.72832900  0.50000000  1
  Se  Se10  1  0.97933400  0.00000000  0.67764600  1
  Se  Se11  1  0.52066600  0.50000000  0.32235400  1
  Se  Se12  1  0.95331000  0.50000000  0.66696700  1
  Se  Se13  1  0.54669000  0.00000000  0.33303300  1
  Se  Se14  1  0.78707900  0.24371700  0.82865700  1
  Se  Se15  1  0.78707900  0.75628300  0.82865700  1
  Se  Se16  1  0.71292100  0.25628300  0.17134300  1
  Se  Se17  1  0.71292100  0.74371700  0.17134300  1
  Se  Se18  1  0.47933400  0.50000000  0.67764600  1
  Se  Se19  1  0.02066600  0.00000000  0.32235400  1
  Se  Se20  1  0.45331000  0.00000000  0.66696700  1
  Se  Se21  1  0.04669000  0.50000000  0.33303300  1
  Se  Se22  1  0.28707900  0.74371700  0.82865700  1
  Se  Se23  1  0.28707900  0.25628300  0.82865700  1
  Se  Se24  1  0.21292100  0.75628300  0.17134300  1
  Se  Se25  1  0.21292100  0.24371700  0.17134300  1
