# generated using pymatgen
data_CoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.76938263
_cell_length_b   9.76938263
_cell_length_c   9.76938263
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSe2
_chemical_formula_sum   'Co16 Se32'
_cell_volume   932.39805490
_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
  Co  Co0  1  0.62500000  0.12500000  0.12500000  1
  Co  Co1  1  0.62500000  0.37500000  0.37500000  1
  Co  Co2  1  0.87500000  0.12500000  0.37500000  1
  Co  Co3  1  0.87500000  0.37500000  0.12500000  1
  Co  Co4  1  0.62500000  0.62500000  0.62500000  1
  Co  Co5  1  0.62500000  0.87500000  0.87500000  1
  Co  Co6  1  0.87500000  0.62500000  0.87500000  1
  Co  Co7  1  0.87500000  0.87500000  0.62500000  1
  Co  Co8  1  0.12500000  0.12500000  0.62500000  1
  Co  Co9  1  0.12500000  0.37500000  0.87500000  1
  Co  Co10  1  0.37500000  0.12500000  0.87500000  1
  Co  Co11  1  0.37500000  0.37500000  0.62500000  1
  Co  Co12  1  0.12500000  0.62500000  0.12500000  1
  Co  Co13  1  0.12500000  0.87500000  0.37500000  1
  Co  Co14  1  0.37500000  0.62500000  0.37500000  1
  Co  Co15  1  0.37500000  0.87500000  0.12500000  1
  Se  Se16  1  0.63150500  0.36849500  0.13150500  1
  Se  Se17  1  0.11849500  0.11849500  0.38150500  1
  Se  Se18  1  0.88150500  0.11849500  0.61849500  1
  Se  Se19  1  0.88150500  0.88150500  0.38150500  1
  Se  Se20  1  0.86849500  0.13150500  0.13150500  1
  Se  Se21  1  0.86849500  0.36849500  0.36849500  1
  Se  Se22  1  0.63150500  0.13150500  0.36849500  1
  Se  Se23  1  0.11849500  0.88150500  0.61849500  1
  Se  Se24  1  0.63150500  0.86849500  0.63150500  1
  Se  Se25  1  0.11849500  0.61849500  0.88150500  1
  Se  Se26  1  0.88150500  0.61849500  0.11849500  1
  Se  Se27  1  0.88150500  0.38150500  0.88150500  1
  Se  Se28  1  0.86849500  0.63150500  0.63150500  1
  Se  Se29  1  0.86849500  0.86849500  0.86849500  1
  Se  Se30  1  0.63150500  0.63150500  0.86849500  1
  Se  Se31  1  0.11849500  0.38150500  0.11849500  1
  Se  Se32  1  0.13150500  0.36849500  0.63150500  1
  Se  Se33  1  0.61849500  0.11849500  0.88150500  1
  Se  Se34  1  0.38150500  0.11849500  0.11849500  1
  Se  Se35  1  0.38150500  0.88150500  0.88150500  1
  Se  Se36  1  0.36849500  0.13150500  0.63150500  1
  Se  Se37  1  0.36849500  0.36849500  0.86849500  1
  Se  Se38  1  0.13150500  0.13150500  0.86849500  1
  Se  Se39  1  0.61849500  0.88150500  0.11849500  1
  Se  Se40  1  0.13150500  0.86849500  0.13150500  1
  Se  Se41  1  0.61849500  0.61849500  0.38150500  1
  Se  Se42  1  0.38150500  0.61849500  0.61849500  1
  Se  Se43  1  0.38150500  0.38150500  0.38150500  1
  Se  Se44  1  0.36849500  0.63150500  0.13150500  1
  Se  Se45  1  0.36849500  0.86849500  0.36849500  1
  Se  Se46  1  0.13150500  0.63150500  0.36849500  1
  Se  Se47  1  0.61849500  0.38150500  0.61849500  1
