# generated using pymatgen
data_Tm9ScCd3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37115209
_cell_length_b   9.37115172
_cell_length_c   9.57982105
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm9ScCd3Ru
_chemical_formula_sum   'Tm18 Sc2 Cd6 Ru2'
_cell_volume   728.57451890
_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  0.20972573  0.79027427  0.44111886  1.0
  Tm  Tm1  1  0.20972573  0.41945145  0.44111886  1.0
  Tm  Tm2  1  0.58054855  0.79027427  0.44111886  1.0
  Tm  Tm3  1  0.79027427  0.20972573  0.55888114  1.0
  Tm  Tm4  1  0.79027427  0.58054855  0.55888114  1.0
  Tm  Tm5  1  0.41945145  0.20972573  0.55888114  1.0
  Tm  Tm6  1  0.79027427  0.20972573  0.94111886  1.0
  Tm  Tm7  1  0.79027427  0.58054855  0.94111886  1.0
  Tm  Tm8  1  0.41945145  0.20972573  0.94111886  1.0
  Tm  Tm9  1  0.20972573  0.79027427  0.05888114  1.0
  Tm  Tm10  1  0.20972573  0.41945145  0.05888114  1.0
  Tm  Tm11  1  0.58054855  0.79027427  0.05888114  1.0
  Tm  Tm12  1  0.54108646  0.45891354  0.25000000  1.0
  Tm  Tm13  1  0.54108646  0.08217392  0.25000000  1.0
  Tm  Tm14  1  0.91782608  0.45891354  0.25000000  1.0
  Tm  Tm15  1  0.45891354  0.54108646  0.75000000  1.0
  Tm  Tm16  1  0.45891354  0.91782608  0.75000000  1.0
  Tm  Tm17  1  0.08217392  0.54108646  0.75000000  1.0
  Sc  Sc18  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc19  1  0.00000000  0.00000000  0.00000000  1.0
  Cd  Cd20  1  0.88917848  0.11082152  0.25000000  1.0
  Cd  Cd21  1  0.88917848  0.77835897  0.25000000  1.0
  Cd  Cd22  1  0.22164103  0.11082152  0.25000000  1.0
  Cd  Cd23  1  0.11082152  0.88917848  0.75000000  1.0
  Cd  Cd24  1  0.11082152  0.22164103  0.75000000  1.0
  Cd  Cd25  1  0.77835897  0.88917848  0.75000000  1.0
  Ru  Ru26  1  0.33333300  0.66666700  0.25000000  1.0
  Ru  Ru27  1  0.66666700  0.33333300  0.75000000  1.0