# generated using pymatgen
data_CoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84258781
_cell_length_b   5.84258781
_cell_length_c   5.84258781
_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   'Co4 Se8'
_cell_volume   199.44159778
_cell_formula_units_Z   4
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  0.00000000  0.00000000  0.00000000  1
  Co  Co1  1  0.50000000  0.00000000  0.50000000  1
  Co  Co2  1  0.50000000  0.50000000  0.00000000  1
  Co  Co3  1  0.00000000  0.50000000  0.50000000  1
  Se  Se4  1  0.37320400  0.37320400  0.37320400  1
  Se  Se5  1  0.12679600  0.62679600  0.87320400  1
  Se  Se6  1  0.87320400  0.12679600  0.62679600  1
  Se  Se7  1  0.62679600  0.87320400  0.12679600  1
  Se  Se8  1  0.62679600  0.62679600  0.62679600  1
  Se  Se9  1  0.87320400  0.37320400  0.12679600  1
  Se  Se10  1  0.12679600  0.87320400  0.37320400  1
  Se  Se11  1  0.37320400  0.12679600  0.87320400  1
