# generated using pymatgen
data_Ir3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02324324
_cell_length_b   6.02328439
_cell_length_c   6.02322229
_cell_angle_alpha   90.25733763
_cell_angle_beta   90.25576543
_cell_angle_gamma   90.25836842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3Se8
_chemical_formula_sum   'Ir3 Se8'
_cell_volume   218.51411731
_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
  Ir  Ir0  1  0.50000000  -0.00000000  0.50000000  1.0
  Ir  Ir1  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir2  1  0.50000000  0.50000000  -0.00000000  1.0
  Se  Se3  1  0.38419769  0.11611564  0.87972052  1.0
  Se  Se4  1  0.11611238  0.87972251  0.38419946  1.0
  Se  Se5  1  0.87973968  0.38418612  0.11612289  1.0
  Se  Se6  1  0.37384736  0.37385481  0.37385341  1.0
  Se  Se7  1  0.62615264  0.62614519  0.62614659  1.0
  Se  Se8  1  0.12026032  0.61581388  0.88387711  1.0
  Se  Se9  1  0.88388762  0.12027749  0.61580054  1.0
  Se  Se10  1  0.61580231  0.88388436  0.12027948  1.0