# generated using pymatgen
data_LiTm19(Cd3Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33837377
_cell_length_b   9.33837339
_cell_length_c   9.59856213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTm19(Cd3Ru)2
_chemical_formula_sum   'Li1 Tm19 Cd6 Ru2'
_cell_volume   724.90201864
_cell_formula_units_Z   1
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
  Li  Li0  1  0.00000000  0.00000000  0.50000000  1.0
  Tm  Tm1  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm2  1  0.20810628  0.79189372  0.43992735  1.0
  Tm  Tm3  1  0.20810628  0.41621157  0.43992735  1.0
  Tm  Tm4  1  0.58378843  0.79189372  0.43992735  1.0
  Tm  Tm5  1  0.79189372  0.20810628  0.56007265  1.0
  Tm  Tm6  1  0.79189372  0.58378843  0.56007265  1.0
  Tm  Tm7  1  0.41621157  0.20810628  0.56007265  1.0
  Tm  Tm8  1  0.78952439  0.21047561  0.94131849  1.0
  Tm  Tm9  1  0.78952439  0.57904779  0.94131849  1.0
  Tm  Tm10  1  0.42095221  0.21047561  0.94131849  1.0
  Tm  Tm11  1  0.21047561  0.78952439  0.05868151  1.0
  Tm  Tm12  1  0.21047561  0.42095221  0.05868151  1.0
  Tm  Tm13  1  0.57904779  0.78952439  0.05868151  1.0
  Tm  Tm14  1  0.54158798  0.45841202  0.25139261  1.0
  Tm  Tm15  1  0.54158798  0.08317596  0.25139261  1.0
  Tm  Tm16  1  0.91682404  0.45841202  0.25139261  1.0
  Tm  Tm17  1  0.45841202  0.54158798  0.74860739  1.0
  Tm  Tm18  1  0.45841202  0.91682404  0.74860739  1.0
  Tm  Tm19  1  0.08317596  0.54158798  0.74860739  1.0
  Cd  Cd20  1  0.88932515  0.11067485  0.25890447  1.0
  Cd  Cd21  1  0.88932515  0.77865230  0.25890447  1.0
  Cd  Cd22  1  0.22134770  0.11067485  0.25890447  1.0
  Cd  Cd23  1  0.11067485  0.88932515  0.74109553  1.0
  Cd  Cd24  1  0.11067485  0.22134770  0.74109553  1.0
  Cd  Cd25  1  0.77865230  0.88932515  0.74109553  1.0
  Ru  Ru26  1  0.33333300  0.66666700  0.25006867  1.0
  Ru  Ru27  1  0.66666700  0.33333300  0.74993133  1.0