# generated using pymatgen
data_CuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02084892
_cell_length_b   4.02084892
_cell_length_c   17.48459200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998226
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSe
_chemical_formula_sum   'Cu6 Se6'
_cell_volume   244.80581107
_cell_formula_units_Z   6
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  0.33333300  0.66666700  0.75000000  1.0
  Cu  Cu1  1  0.66666700  0.33333300  0.25000000  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.10773700  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.60773700  1.0
  Cu  Cu4  1  0.66666700  0.33333300  0.89226300  1.0
  Cu  Cu5  1  0.33333300  0.66666700  0.39226300  1.0
  Se  Se6  1  0.33333300  0.66666700  0.25000000  1.0
  Se  Se7  1  0.66666700  0.33333300  0.75000000  1.0
  Se  Se8  1  0.00000000  0.00000000  0.06945700  1.0
  Se  Se9  1  0.00000000  0.00000000  0.56945700  1.0
  Se  Se10  1  0.00000000  0.00000000  0.93054300  1.0
  Se  Se11  1  0.00000000  0.00000000  0.43054300  1.0