# generated using pymatgen
data_RuCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02991438
_cell_length_b   10.48494300
_cell_length_c   6.69887201
_cell_angle_alpha   90.00000000
_cell_angle_beta   106.89712290
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuCl3
_chemical_formula_sum   'Ru4 Cl12'
_cell_volume   405.24051333
_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
  Ru  Ru0  1  0.00000000  0.33297800  0.00000000  1.0
  Ru  Ru1  1  0.00000000  0.66702200  0.00000000  1.0
  Ru  Ru2  1  0.50000000  0.83297800  0.00000000  1.0
  Ru  Ru3  1  0.50000000  0.16702200  0.00000000  1.0
  Cl  Cl4  1  0.75689200  0.17552000  0.79002800  1.0
  Cl  Cl5  1  0.24310800  0.17552000  0.20997200  1.0
  Cl  Cl6  1  0.24310800  0.82448000  0.20997200  1.0
  Cl  Cl7  1  0.75689200  0.82448000  0.79002800  1.0
  Cl  Cl8  1  0.25689200  0.67552000  0.79002800  1.0
  Cl  Cl9  1  0.74310800  0.67552000  0.20997200  1.0
  Cl  Cl10  1  0.74310800  0.32448000  0.20997200  1.0
  Cl  Cl11  1  0.25689200  0.32448000  0.79002800  1.0
  Cl  Cl12  1  0.71582500  0.00000000  0.20842700  1.0
  Cl  Cl13  1  0.28417500  0.00000000  0.79157300  1.0
  Cl  Cl14  1  0.21582500  0.50000000  0.20842700  1.0
  Cl  Cl15  1  0.78417500  0.50000000  0.79157300  1.0