# generated using pymatgen
data_CrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05163124
_cell_length_b   10.05163124
_cell_length_c   10.05163124
_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   1015.56948319
_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  0.87500000  0.37500000  0.12500000  1
  Cr  Cr1  1  0.87500000  0.62500000  0.87500000  1
  Cr  Cr2  1  0.12500000  0.62500000  0.12500000  1
  Cr  Cr3  1  0.12500000  0.37500000  0.87500000  1
  Cr  Cr4  1  0.87500000  0.87500000  0.62500000  1
  Cr  Cr5  1  0.87500000  0.12500000  0.37500000  1
  Cr  Cr6  1  0.12500000  0.12500000  0.62500000  1
  Cr  Cr7  1  0.12500000  0.87500000  0.37500000  1
  Cr  Cr8  1  0.37500000  0.37500000  0.62500000  1
  Cr  Cr9  1  0.37500000  0.62500000  0.37500000  1
  Cr  Cr10  1  0.62500000  0.62500000  0.62500000  1
  Cr  Cr11  1  0.62500000  0.37500000  0.37500000  1
  Cr  Cr12  1  0.37500000  0.87500000  0.12500000  1
  Cr  Cr13  1  0.37500000  0.12500000  0.87500000  1
  Cr  Cr14  1  0.62500000  0.12500000  0.12500000  1
  Cr  Cr15  1  0.62500000  0.87500000  0.87500000  1
  Se  Se16  1  0.37527300  0.87527300  0.87527300  1
  Se  Se17  1  0.37472700  0.62527300  0.12527300  1
  Se  Se18  1  0.12527300  0.87472700  0.12527300  1
  Se  Se19  1  0.12527300  0.62527300  0.37472700  1
  Se  Se20  1  0.12472700  0.37527300  0.12472700  1
  Se  Se21  1  0.12472700  0.62472700  0.87527300  1
  Se  Se22  1  0.87527300  0.62472700  0.12472700  1
  Se  Se23  1  0.87472700  0.37472700  0.37472700  1
  Se  Se24  1  0.37527300  0.37527300  0.37527300  1
  Se  Se25  1  0.37472700  0.12527300  0.62527300  1
  Se  Se26  1  0.12527300  0.37472700  0.62527300  1
  Se  Se27  1  0.12527300  0.12527300  0.87472700  1
  Se  Se28  1  0.12472700  0.87527300  0.62472700  1
  Se  Se29  1  0.12472700  0.12472700  0.37527300  1
  Se  Se30  1  0.87527300  0.12472700  0.62472700  1
  Se  Se31  1  0.87472700  0.87472700  0.87472700  1
  Se  Se32  1  0.87527300  0.87527300  0.37527300  1
  Se  Se33  1  0.87472700  0.62527300  0.62527300  1
  Se  Se34  1  0.62527300  0.87472700  0.62527300  1
  Se  Se35  1  0.62527300  0.62527300  0.87472700  1
  Se  Se36  1  0.62472700  0.37527300  0.62472700  1
  Se  Se37  1  0.62472700  0.62472700  0.37527300  1
  Se  Se38  1  0.37527300  0.62472700  0.62472700  1
  Se  Se39  1  0.37472700  0.37472700  0.87472700  1
  Se  Se40  1  0.87527300  0.37527300  0.87527300  1
  Se  Se41  1  0.87472700  0.12527300  0.12527300  1
  Se  Se42  1  0.62527300  0.37472700  0.12527300  1
  Se  Se43  1  0.62527300  0.12527300  0.37472700  1
  Se  Se44  1  0.62472700  0.87527300  0.12472700  1
  Se  Se45  1  0.62472700  0.12472700  0.87527300  1
  Se  Se46  1  0.37527300  0.12472700  0.12472700  1
  Se  Se47  1  0.37472700  0.87472700  0.37472700  1
