# generated using pymatgen
data_RuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02993244
_cell_length_b   4.02993244
_cell_length_c   7.42897500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuI
_chemical_formula_sum   'Ru2 I2'
_cell_volume   104.48526016
_cell_formula_units_Z   2
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  0.66666700  0.33333300  0.86531200  1.0
  Ru  Ru1  1  0.33333300  0.66666700  0.36531200  1.0
  I  I2  1  0.66666700  0.33333300  0.50968800  1.0
  I  I3  1  0.33333300  0.66666700  0.00968800  1.0