# generated using pymatgen
data_CuAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93416157
_cell_length_b   5.56716867
_cell_length_c   11.74170973
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsSe
_chemical_formula_sum   'Cu4 As4 Se4'
_cell_volume   257.16858250
_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  0.25000000  0.08820450  0.83216104  1.0
  Cu  Cu1  1  0.75000000  0.91179550  0.16783896  1.0
  Cu  Cu2  1  0.75000000  0.58820450  0.66783896  1.0
  Cu  Cu3  1  0.25000000  0.41179550  0.33216104  1.0
  As  As4  1  0.25000000  0.35977953  0.98455636  1.0
  As  As5  1  0.75000000  0.64022047  0.01544364  1.0
  As  As6  1  0.75000000  0.85977953  0.51544364  1.0
  As  As7  1  0.25000000  0.14022047  0.48455636  1.0
  Se  Se8  1  0.25000000  0.34228791  0.66712374  1.0
  Se  Se9  1  0.75000000  0.65771209  0.33287626  1.0
  Se  Se10  1  0.75000000  0.84228791  0.83287626  1.0
  Se  Se11  1  0.25000000  0.15771209  0.16712374  1.0