# generated using pymatgen
data_PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79272721
_cell_length_b   6.79257662
_cell_length_c   6.95192956
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99889384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdSe
_chemical_formula_sum   'Pd8 Se8'
_cell_volume   320.76286433
_cell_formula_units_Z   8
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
  Pd  Pd0  1  0.53152000  0.73967112  -0.00000000  1.0
  Pd  Pd1  1  0.26033105  0.53153389  0.50000000  1.0
  Pd  Pd2  1  0.73966767  0.46847114  0.50000000  1.0
  Pd  Pd3  1  0.46848584  0.26031642  -0.00000000  1.0
  Pd  Pd4  1  0.50000550  0.00000462  0.50000000  1.0
  Pd  Pd5  1  0.00000655  0.49998826  -0.00000000  1.0
  Pd  Pd6  1  -0.00000102  -0.00000169  0.75000273  1.0
  Pd  Pd7  1  -0.00000102  -0.00000169  0.24999727  1.0
  Se  Se8  1  0.19331487  0.30768504  0.77086401  1.0
  Se  Se9  1  0.69230876  0.19330781  0.27087122  1.0
  Se  Se10  1  0.30768489  0.80671229  0.27086222  1.0
  Se  Se11  1  0.80668419  0.69230483  0.77086577  1.0
  Se  Se12  1  0.80668419  0.69230483  0.22913423  1.0
  Se  Se13  1  0.30768489  0.80671229  0.72913778  1.0
  Se  Se14  1  0.69230876  0.19330781  0.72912878  1.0
  Se  Se15  1  0.19331487  0.30768504  0.22913599  1.0