# generated using pymatgen
data_Tm3Lu(AlRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95407683
_cell_length_b   6.89590547
_cell_length_c   7.99817636
_cell_angle_alpha   90.11796573
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Lu(AlRu)4
_chemical_formula_sum   'Tm3 Lu1 Al4 Ru4'
_cell_volume   218.08533279
_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
  Tm  Tm0  1  0.75000000  0.53390217  0.82463854  1.0
  Tm  Tm1  1  0.25000000  0.46705441  0.17582253  1.0
  Tm  Tm2  1  0.75000000  0.03314539  0.67459827  1.0
  Lu  Lu3  1  0.25000000  0.96570116  0.32532291  1.0
  Al  Al4  1  0.75000000  0.63572534  0.44441530  1.0
  Al  Al5  1  0.75000000  0.13577230  0.05528335  1.0
  Al  Al6  1  0.25000000  0.36348767  0.55456299  1.0
  Al  Al7  1  0.25000000  0.86483364  0.94541296  1.0
  Ru  Ru8  1  0.75000000  0.77044412  0.13328605  1.0
  Ru  Ru9  1  0.75000000  0.26534791  0.36750625  1.0
  Ru  Ru10  1  0.25000000  0.23282563  0.86774256  1.0
  Ru  Ru11  1  0.25000000  0.73176126  0.63140929  1.0