# generated using pymatgen
data_RuCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05994138
_cell_length_b   6.05994138
_cell_length_c   19.91745700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuCl3
_chemical_formula_sum   'Ru6 Cl18'
_cell_volume   633.43403633
_cell_formula_units_Z   6
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
  Ru  Ru0  1  0.55551100  0.11102200  0.16666700  1.0
  Ru  Ru1  1  0.88897800  0.44448900  0.50000000  1.0
  Ru  Ru2  1  0.55551100  0.44448900  0.83333300  1.0
  Ru  Ru3  1  0.22208000  0.44416000  0.16666700  1.0
  Ru  Ru4  1  0.55584000  0.77792000  0.50000000  1.0
  Ru  Ru5  1  0.22208000  0.77792000  0.83333300  1.0
  Cl  Cl6  1  0.53598700  0.75842900  0.76613400  1.0
  Cl  Cl7  1  0.88870500  0.75823900  0.90065100  1.0
  Cl  Cl8  1  0.53574200  0.11116000  0.90063900  1.0
  Cl  Cl9  1  0.86953500  0.75823900  0.43268200  1.0
  Cl  Cl10  1  0.22244200  0.46401300  0.43280000  1.0
  Cl  Cl11  1  0.88870500  0.13046500  0.09934900  1.0
  Cl  Cl12  1  0.53598700  0.77755800  0.23386600  1.0
  Cl  Cl13  1  0.88884000  0.46425800  0.76602700  1.0
  Cl  Cl14  1  0.24157100  0.46401300  0.90053300  1.0
  Cl  Cl15  1  0.57541800  0.46425800  0.56730600  1.0
  Cl  Cl16  1  0.86953500  0.11129500  0.56731800  1.0
  Cl  Cl17  1  0.22244200  0.75842900  0.56720000  1.0
  Cl  Cl18  1  0.24176100  0.13046500  0.23398400  1.0
  Cl  Cl19  1  0.57541800  0.11116000  0.43269400  1.0
  Cl  Cl20  1  0.88884000  0.42458200  0.23397300  1.0
  Cl  Cl21  1  0.53574200  0.42458200  0.09936100  1.0
  Cl  Cl22  1  0.24176100  0.11129500  0.76601600  1.0
  Cl  Cl23  1  0.24157100  0.77755800  0.09946700  1.0