# generated using pymatgen
data_CuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13431878
_cell_length_b   6.13431592
_cell_length_c   6.13432505
_cell_angle_alpha   89.99998179
_cell_angle_beta   89.99896492
_cell_angle_gamma   89.99992360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSe2
_chemical_formula_sum   'Cu4 Se8'
_cell_volume   230.83372748
_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
  Cu  Cu0  1  0.99999956  -0.00000017  -0.00000011  1.0
  Cu  Cu1  1  0.50000039  0.00000036  0.50000002  1.0
  Cu  Cu2  1  0.50000004  0.49999955  -0.00000006  1.0
  Cu  Cu3  1  0.00000041  0.50000013  0.50000014  1.0
  Se  Se4  1  0.39030222  0.39031249  0.39030899  1.0
  Se  Se5  1  0.10969300  0.60969848  0.89029980  1.0
  Se  Se6  1  0.89030823  0.10970359  0.60969656  1.0
  Se  Se7  1  0.60969687  0.89030829  0.10969036  1.0
  Se  Se8  1  0.60969810  0.60968886  0.60969127  1.0
  Se  Se9  1  0.89030709  0.39030139  0.10970024  1.0
  Se  Se10  1  0.10969210  0.89029774  0.39030219  1.0
  Se  Se11  1  0.39030300  0.10969128  0.89030960  1.0