# generated using pymatgen
data_Tm3RuI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18483475
_cell_length_b   8.69733732
_cell_length_c   12.21228017
_cell_angle_alpha   86.35341557
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3RuI3
_chemical_formula_sum   'Tm6 Ru2 I6'
_cell_volume   443.58944043
_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
  Tm  Tm0  1  0.75000000  0.13590362  0.12610539  1.0
  Tm  Tm1  1  0.25000000  0.86409638  0.87389461  1.0
  Tm  Tm2  1  0.75000000  0.09586291  0.69077717  1.0
  Tm  Tm3  1  0.25000000  0.90413709  0.30922283  1.0
  Tm  Tm4  1  0.25000000  0.25106717  0.89824046  1.0
  Tm  Tm5  1  0.75000000  0.74893283  0.10175954  1.0
  Ru  Ru6  1  0.75000000  0.04885537  0.91037418  1.0
  Ru  Ru7  1  0.25000000  0.95114463  0.08962582  1.0
  I  I8  1  0.25000000  0.34885357  0.63699382  1.0
  I  I9  1  0.75000000  0.65114643  0.36300618  1.0
  I  I10  1  0.75000000  0.14334992  0.39010030  1.0
  I  I11  1  0.25000000  0.85665008  0.60989970  1.0
  I  I12  1  0.25000000  0.42802485  0.13314003  1.0
  I  I13  1  0.75000000  0.57197515  0.86685997  1.0