# generated using pymatgen
data_CrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.10207192
_cell_length_b   10.10207192
_cell_length_c   10.10207192
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSe2
_chemical_formula_sum   'Cr16 Se32'
_cell_volume   1030.93519976
_cell_formula_units_Z   16
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  0.62687500  0.12687500  0.87312500  1
  Cr  Cr1  1  0.62687500  0.37312500  0.62687500  1
  Cr  Cr2  1  0.87312500  0.37312500  0.87312500  1
  Cr  Cr3  1  0.87312500  0.12687500  0.62687500  1
  Cr  Cr4  1  0.62687500  0.62687500  0.37312500  1
  Cr  Cr5  1  0.62687500  0.87312500  0.12687500  1
  Cr  Cr6  1  0.87312500  0.87312500  0.37312500  1
  Cr  Cr7  1  0.87312500  0.62687500  0.12687500  1
  Cr  Cr8  1  0.12687500  0.12687500  0.37312500  1
  Cr  Cr9  1  0.12687500  0.37312500  0.12687500  1
  Cr  Cr10  1  0.37312500  0.37312500  0.37312500  1
  Cr  Cr11  1  0.37312500  0.12687500  0.12687500  1
  Cr  Cr12  1  0.12687500  0.62687500  0.87312500  1
  Cr  Cr13  1  0.12687500  0.87312500  0.62687500  1
  Cr  Cr14  1  0.37312500  0.87312500  0.87312500  1
  Cr  Cr15  1  0.37312500  0.62687500  0.62687500  1
  Se  Se16  1  0.12658000  0.62658000  0.62658000  1
  Se  Se17  1  0.12189400  0.37810600  0.87810600  1
  Se  Se18  1  0.87810600  0.62189400  0.87810600  1
  Se  Se19  1  0.87810600  0.37810600  0.12189400  1
  Se  Se20  1  0.87342000  0.12658000  0.87342000  1
  Se  Se21  1  0.87342000  0.37342000  0.62658000  1
  Se  Se22  1  0.62658000  0.37342000  0.87342000  1
  Se  Se23  1  0.62189400  0.12189400  0.12189400  1
  Se  Se24  1  0.12658000  0.12658000  0.12658000  1
  Se  Se25  1  0.12189400  0.87810600  0.37810600  1
  Se  Se26  1  0.87810600  0.12189400  0.37810600  1
  Se  Se27  1  0.87810600  0.87810600  0.62189400  1
  Se  Se28  1  0.87342000  0.62658000  0.37342000  1
  Se  Se29  1  0.87342000  0.87342000  0.12658000  1
  Se  Se30  1  0.62658000  0.87342000  0.37342000  1
  Se  Se31  1  0.62189400  0.62189400  0.62189400  1
  Se  Se32  1  0.62658000  0.62658000  0.12658000  1
  Se  Se33  1  0.62189400  0.37810600  0.37810600  1
  Se  Se34  1  0.37810600  0.62189400  0.37810600  1
  Se  Se35  1  0.37810600  0.37810600  0.62189400  1
  Se  Se36  1  0.37342000  0.12658000  0.37342000  1
  Se  Se37  1  0.37342000  0.37342000  0.12658000  1
  Se  Se38  1  0.12658000  0.37342000  0.37342000  1
  Se  Se39  1  0.12189400  0.12189400  0.62189400  1
  Se  Se40  1  0.62658000  0.12658000  0.62658000  1
  Se  Se41  1  0.62189400  0.87810600  0.87810600  1
  Se  Se42  1  0.37810600  0.12189400  0.87810600  1
  Se  Se43  1  0.37810600  0.87810600  0.12189400  1
  Se  Se44  1  0.37342000  0.62658000  0.87342000  1
  Se  Se45  1  0.37342000  0.87342000  0.62658000  1
  Se  Se46  1  0.12658000  0.87342000  0.87342000  1
  Se  Se47  1  0.12189400  0.62189400  0.12189400  1
