# generated using pymatgen
data_Nb6CuSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05584815
_cell_length_b   10.05584815
_cell_length_c   3.47619500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000100
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6CuSe8
_chemical_formula_sum   'Nb6 Cu1 Se8'
_cell_volume   304.41929177
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.10798100  0.62041600  0.24978300  1.0
  Nb  Nb1  1  0.51243500  0.89201900  0.24978300  1.0
  Nb  Nb2  1  0.37958400  0.48756500  0.24978300  1.0
  Nb  Nb3  1  0.89201900  0.37958400  0.75021700  1.0
  Nb  Nb4  1  0.48756500  0.10798100  0.75021700  1.0
  Nb  Nb5  1  0.62041600  0.51243500  0.75021700  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se7  1  0.27626800  0.94221700  0.25169700  1.0
  Se  Se8  1  0.66594900  0.72373200  0.25169700  1.0
  Se  Se9  1  0.05778300  0.33405100  0.25169700  1.0
  Se  Se10  1  0.72373200  0.05778300  0.74830300  1.0
  Se  Se11  1  0.33405100  0.27626800  0.74830300  1.0
  Se  Se12  1  0.94221700  0.66594900  0.74830300  1.0
  Se  Se13  1  0.66666700  0.33333300  0.24959100  1.0
  Se  Se14  1  0.33333300  0.66666700  0.75040900  1.0