# generated using pymatgen
data_Cu15AsSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68260752
_cell_length_b   6.68260894
_cell_length_c   15.50345547
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.17786989
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu15AsSe16
_chemical_formula_sum   'Cu15 As1 Se16'
_cell_volume   653.91906398
_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
  Cu  Cu0  1  0.00115281  0.99884719  0.00000000  1.0
  Cu  Cu1  1  0.50348432  0.49651468  0.75350552  1.0
  Cu  Cu2  1  0.99127045  0.00872955  0.50000000  1.0
  Cu  Cu3  1  0.50348432  0.49651468  0.24649448  1.0
  Cu  Cu4  1  0.00120415  0.49828410  0.87660747  1.0
  Cu  Cu5  1  0.50441207  0.00846084  0.62832785  1.0
  Cu  Cu6  1  0.99153916  0.49558793  0.37167215  1.0
  Cu  Cu7  1  0.50171590  0.99879585  0.12339253  1.0
  Cu  Cu8  1  0.50171590  0.99879585  0.87660747  1.0
  Cu  Cu9  1  0.99153916  0.49558793  0.62832785  1.0
  Cu  Cu10  1  0.50441207  0.00846084  0.37167215  1.0
  Cu  Cu11  1  0.00120415  0.49828410  0.12339253  1.0
  Cu  Cu12  1  0.00079258  0.99920742  0.24815565  1.0
  Cu  Cu13  1  0.50151805  0.49848195  0.00000000  1.0
  Cu  Cu14  1  0.00079258  0.99920742  0.75184435  1.0
  As  As15  1  0.49652144  0.50347856  0.50000000  1.0
  Se  Se16  1  0.87662408  0.12337592  0.62833783  1.0
  Se  Se17  1  0.36931826  0.63068174  0.36900954  1.0
  Se  Se18  1  0.87571438  0.12428562  0.12389983  1.0
  Se  Se19  1  0.37576958  0.62423042  0.87581545  1.0
  Se  Se20  1  0.87662408  0.12337592  0.37166217  1.0
  Se  Se21  1  0.37576958  0.62423042  0.12418455  1.0
  Se  Se22  1  0.87571438  0.12428562  0.87610017  1.0
  Se  Se23  1  0.36931826  0.63068174  0.63099046  1.0
  Se  Se24  1  0.87684094  0.62559005  0.24711132  1.0
  Se  Se25  1  0.37514767  0.12458933  0.00000000  1.0
  Se  Se26  1  0.87684094  0.62559005  0.75288868  1.0
  Se  Se27  1  0.37058375  0.11525955  0.50000000  1.0
  Se  Se28  1  0.37440995  0.12315906  0.24711132  1.0
  Se  Se29  1  0.87541067  0.62485233  0.00000000  1.0
  Se  Se30  1  0.37440995  0.12315906  0.75288868  1.0
  Se  Se31  1  0.88474045  0.62941625  0.50000000  1.0